# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mus1113d
_database_code_depnum_ccdc_archive 'CCDC 1905090'
loop_
_audit_author_name
_audit_author_address
'Mark Smith'
;University of South Carolina
United States of America
;
_audit_update_record             
;
2019-03-22 deposited with the CCDC.	2020-01-10 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT241_mus1113d            
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of         O3 Check 
RESPONSE: Likely reflects minor disorder of oxygen atoms around the 
disordered Co/Ge sites. Oxygen disorder was not modeled because of its
small minor component population.
;
_vrf_PLAT260_mus1113d            
;
PROBLEM: Large Average Ueq of Residue Including       CS4      0.159 Check 
RESPONSE: Extensively disordered cesium sites, essentially a continuous 
distributon of Cs sites. Larger Cs displacement parameters were allowed to 
account for the disorder instead of modeling more than six closely 
separated Cs sites. 
;
_vrf_PLAT987_mus1113d            
;
PROBLEM: The Flack x is >> 0 -  Do a BASF/TWIN Refinement     Please Check
RESPONSE: The Flack parameter is 0.047(6). Including an inversion matrix and
doing a TWIN/BASF refinement resulted in no change in refinement statistics 
and was therefore omitted. 
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Co0.69 Cs1.29 Ge1.81 O5'
_chemical_formula_sum            'Co0.69 Cs1.29 Ge1.81 O5'
_chemical_formula_weight         423.02

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           82
_space_group_name_H-M_alt        'I -4'
_space_group_name_Hall           'I -4'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'

_cell_length_a                   7.4239(14)
_cell_length_b                   7.4239(14)
_cell_length_c                   13.169(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     725.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    301(2)
_cell_measurement_reflns_used    9163
_cell_measurement_theta_min      3.094
_cell_measurement_theta_max      30.480

_exptl_crystal_description       irregular
_exptl_crystal_colour            'deep blue'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.871
_exptl_crystal_F_000             749
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    15.338
_shelx_estimated_absorpt_T_min   0.149
_shelx_estimated_absorpt_T_max   0.309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1503
_exptl_absorpt_correction_T_max  0.2657
_exptl_absorpt_process_details   'SADABS Version 2016/2 (Bruker, 2016)'
_diffrn_ambient_temperature      301(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean 10.4
_diffrn_reflns_number            22000
_diffrn_reflns_av_unetI/netI     0.0137
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.094
_diffrn_reflns_theta_max         30.522
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             1118
_reflns_number_gt                1086
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.908
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.997

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX3 v2016.5-0 (Bruker, 2016)'
_computing_cell_refinement       'SAINT Version 8.38a (Bruker, 2016)'
_computing_data_reduction        'SAINT Version 8.38a (Bruker, 2016)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    various
_computing_publication_material  various
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0301P)²+0.9158P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0066(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
; 
 Flack x determined using 502 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.046(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         1118
_refine_ls_number_parameters     84
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0206
_refine_ls_wR_factor_ref         0.0518
_refine_ls_wR_factor_gt          0.0514
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.47412(6) 0.29169(5) 0.71137(4) 0.03119(16) Uani 0.867 1 d . . P . .
Co1A Co 0.47412(6) 0.29169(5) 0.71137(4) 0.03119(16) Uani 0.133 1 d . . P . .
Co1 Co 0.500000 0.500000 0.500000 0.0359(5) Uani 0.85(4) 4 d S T P . .
Ge1A Ge 0.500000 0.500000 0.500000 0.0359(5) Uani 0.15(4) 4 d S T P . .
O1 O 0.6817(6) 0.1772(7) 0.7071(4) 0.0618(12) Uani 1 1 d . . . . .
O2 O 0.3979(6) 0.3212(6) 0.5889(3) 0.0524(10) Uani 1 1 d . . . . .
O3 O 0.500000 0.500000 0.7736(4) 0.083(3) Uani 1 2 d S T P . .
Cs1 Cs 0.212(3) -0.0042(8) 0.4876(11) 0.072(3) Uani 0.181(16) 1 d . . . . .
Cs2 Cs 0.297(5) -0.0100(14) 0.4669(9) 0.081(7) Uani 0.14(2) 1 d . . . . .
Cs3 Cs 0.392(3) 0.0220(9) 0.4362(12) 0.081(6) Uani 0.143(14) 1 d . . . . .
Cs4 Cs 0.500000 0.000000 0.410(2) 0.158(12) Uani 0.150(14) 2 d S T . . .
Cs5 Cs 0.500000 0.000000 0.2930(14) 0.142(10) Uani 0.175(5) 2 d S T . . .
Cs6 Cs 0.097(5) 0.110(5) 0.508(3) 0.075 Uiso 0.0164(15) 1 d . U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge1 O2 1.723(4) . ?
Ge1 O1 1.755(4) 8_546 ?
Ge1 O3 1.760(3) . ?
Ge1 O1 1.761(4) . ?
Ge1 Cs5 3.8450(9) 3_566 ?
Ge1 Cs6 3.91(4) 7_556 ?
Ge1 Cs1 3.968(14) 7_556 ?
Ge1 Cs5 3.992(5) 5_455 ?
Ge1 Cs6 4.01(4) 6 ?
Ge1 Cs6 4.10(4) . ?
Ge1 Cs2 4.136(8) . ?
Ge1 Cs1 4.158(5) . ?
Co1 O2 1.926(4) 2_665 ?
Co1 O2 1.926(4) 3_566 ?
Co1 O2 1.926(4) 4_656 ?
Co1 O2 1.926(4) . ?
Co1 Cs3 3.734(7) . ?
Co1 Cs3 3.734(7) 4_656 ?
Co1 Cs3 3.734(7) 2_665 ?
Co1 Cs3 3.734(7) 3_566 ?
Co1 Cs4 3.896(9) . ?
Co1 Cs4 3.896(9) 3_666 ?
Co1 Cs4 3.896(9) 3_566 ?
Co1 Cs4 3.896(9) 1_565 ?
O1 Cs1 3.259(10) 2_655 ?
O1 Cs6 3.29(4) 4_656 ?
O1 Cs3 3.308(7) 4_656 ?
O1 Cs5 3.366(5) 3_666 ?
O1 Cs2 3.401(13) 2_655 ?
O1 Cs2 3.462(12) 4_656 ?
O1 Cs1 3.517(10) 4_656 ?
O1 Cs5 3.551(7) 5 ?
O1 Cs4 3.702(14) 3_666 ?
O2 Cs6 2.93(4) . ?
O2 Cs2 2.977(12) 4_556 ?
O2 Cs3 2.997(10) . ?
O2 Cs2 3.031(10) . ?
O2 Cs1 3.085(7) . ?
O2 Cs3 3.179(9) 4_556 ?
O2 Cs1 3.195(13) 4_556 ?
O2 Cs4 3.238(5) 3_566 ?
O3 Cs6 3.07(4) 7_556 ?
O3 Cs6 3.07(4) 8_556 ?
O3 Cs1 3.230(7) 5 ?
O3 Cs1 3.230(7) 6 ?
O3 Cs6 3.28(4) 5 ?
O3 Cs6 3.28(4) 6 ?
O3 Cs2 3.371(18) 5 ?
O3 Cs2 3.371(18) 6 ?
O3 Cs1 3.52(2) 8_556 ?
Cs1 Cs2 0.69(2) . ?
Cs1 Cs6 1.03(4) 3_556 ?
Cs1 Cs6 1.24(4) . ?
Cs1 Cs3 1.51(4) . ?
Cs1 Cs1 2.25(3) 3_556 ?
Cs1 Cs1 2.25(3) 4_556 ?
Cs1 Cs4 2.37(3) . ?
Cs1 Cs6 2.44(4) 2 ?
Cs1 Cs6 2.51(5) 4_556 ?
Cs1 Cs2 2.76(5) 4_556 ?
Cs1 Cs2 2.80(5) 3_556 ?
Cs1 Cs3 3.02(3) 2_655 ?
Cs1 Cs1 3.15(4) 2 ?
Cs1 Cs5 3.34(3) . ?
Cs1 Cs3 3.36(3) 3_556 ?
Cs2 Cs3 0.84(4) . ?
Cs2 Cs6 1.57(5) 3_556 ?
Cs2 Cs4 1.68(4) . ?
Cs2 Cs6 1.82(5) . ?
Cs2 Cs3 2.34(5) 2_655 ?
Cs2 Cs5 2.74(3) . ?
Cs2 Cs2 3.01(7) 2_655 ?
Cs2 Cs6 3.07(5) 2 ?
Cs2 Cs6 3.15(5) 4_556 ?
Cs2 Cs2 3.24(6) 3_556 ?
Cs2 Cs2 3.24(6) 4_556 ?
Cs3 Cs4 0.89(2) . ?
Cs3 Cs3 1.63(4) 2_655 ?
Cs3 Cs5 2.06(3) . ?
Cs3 Cs6 2.39(5) 3_556 ?
Cs3 Cs6 2.48(4) . ?
Cs3 Cs5 3.13(3) 7 ?
Cs4 Cs5 1.54(3) . ?
Cs4 Cs5 2.67(4) 7 ?
Cs4 Cs6 3.17(4) 4_656 ?
Cs4 Cs6 3.17(4) 3_556 ?
Cs4 Cs6 3.36(4) 2_655 ?
Cs4 Cs6 3.36(4) . ?
Cs5 Cs5 1.13(4) 7 ?
Cs6 Cs6 1.56(5) 4_556 ?
Cs6 Cs6 1.56(5) 3_556 ?
Cs6 Cs6 2.18(7) 2 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Ge1 O1 114.9(2) . 8_546 ?
O2 Ge1 O3 111.1(2) . . ?
O1 Ge1 O3 101.17(19) 8_546 . ?
O2 Ge1 O1 108.6(2) . . ?
O1 Ge1 O1 110.8(3) 8_546 . ?
O3 Ge1 O1 110.1(2) . . ?
O2 Ge1 Cs5 68.5(3) . 3_566 ?
O1 Ge1 Cs5 67.1(2) 8_546 3_566 ?
O3 Ge1 Cs5 75.73(13) . 3_566 ?
O1 Ge1 Cs5 174.2(2) . 3_566 ?
O2 Ge1 Cs6 160.1(5) . 7_556 ?
O1 Ge1 Cs6 71.7(6) 8_546 7_556 ?
O3 Ge1 Cs6 49.3(5) . 7_556 ?
O1 Ge1 Cs6 84.6(6) . 7_556 ?
Cs5 Ge1 Cs6 99.5(6) 3_566 7_556 ?
O2 Ge1 Cs1 161.7(2) . 7_556 ?
O1 Ge1 Cs1 53.9(3) 8_546 7_556 ?
O3 Ge1 Cs1 62.5(3) . 7_556 ?
O1 Ge1 Cs1 89.6(2) . 7_556 ?
Cs5 Ge1 Cs1 93.2(3) 3_566 7_556 ?
Cs6 Ge1 Cs1 18.1(6) 7_556 7_556 ?
O2 Ge1 Cs5 85.0(3) . 5_455 ?
O1 Ge1 Cs5 56.7(2) 8_546 5_455 ?
O3 Ge1 Cs5 68.33(11) . 5_455 ?
O1 Ge1 Cs5 165.3(3) . 5_455 ?
Cs5 Ge1 Cs5 16.5(5) 3_566 5_455 ?
Cs6 Ge1 Cs5 83.8(6) 7_556 5_455 ?
Cs1 Ge1 Cs5 76.7(3) 7_556 5_455 ?
O2 Ge1 Cs6 147.8(6) . 6 ?
O1 Ge1 Cs6 53.4(5) 8_546 6 ?
O3 Ge1 Cs6 53.3(6) . 6 ?
O1 Ge1 Cs6 103.5(6) . 6 ?
Cs5 Ge1 Cs6 79.7(6) 3_566 6 ?
Cs6 Ge1 Cs6 22.6(8) 7_556 6 ?
Cs1 Ge1 Cs6 14.7(6) 7_556 6 ?
Cs5 Ge1 Cs6 63.3(6) 5_455 6 ?
O2 Ge1 Cs6 37.5(6) . . ?
O1 Ge1 Cs6 79.0(6) 8_546 . ?
O3 Ge1 Cs6 131.8(6) . . ?
O1 Ge1 Cs6 114.7(6) . . ?
Cs5 Ge1 Cs6 59.8(6) 3_566 . ?
Cs6 Ge1 Cs6 149.4(7) 7_556 . ?
Cs1 Ge1 Cs6 132.6(5) 7_556 . ?
Cs5 Ge1 Cs6 72.6(6) 5_455 . ?
Cs6 Ge1 Cs6 127.2(4) 6 . ?
O2 Ge1 Cs2 40.2(2) . . ?
O1 Ge1 Cs2 91.2(5) 8_546 . ?
O3 Ge1 Cs2 150.8(2) . . ?
O1 Ge1 Cs2 89.5(5) . . ?
Cs5 Ge1 Cs2 85.2(5) 3_566 . ?
Cs6 Ge1 Cs2 158.5(6) 7_556 . ?
Cs1 Ge1 Cs2 141.9(3) 7_556 . ?
Cs5 Ge1 Cs2 98.0(6) 5_455 . ?
Cs6 Ge1 Cs2 144.6(6) 6 . ?
Cs6 Ge1 Cs2 25.5(7) . . ?
O2 Ge1 Cs1 41.4(2) . . ?
O1 Ge1 Cs1 83.6(3) 8_546 . ?
O3 Ge1 Cs1 147.66(18) . . ?
O1 Ge1 Cs1 97.5(3) . . ?
Cs5 Ge1 Cs1 76.9(3) 3_566 . ?
Cs6 Ge1 Cs1 154.2(6) 7_556 . ?
Cs1 Ge1 Cs1 136.32(12) 7_556 . ?
Cs5 Ge1 Cs1 89.1(4) 5_455 . ?
Cs6 Ge1 Cs1 136.5(6) 6 . ?
Cs6 Ge1 Cs1 17.2(6) . . ?
Cs2 Ge1 Cs1 9.5(3) . . ?
O2 Co1 O2 111.71(13) 2_665 3_566 ?
O2 Co1 O2 111.71(13) 2_665 4_656 ?
O2 Co1 O2 105.1(2) 3_566 4_656 ?
O2 Co1 O2 105.1(2) 2_665 . ?
O2 Co1 O2 111.71(13) 3_566 . ?
O2 Co1 O2 111.71(13) 4_656 . ?
O2 Co1 Cs3 151.22(19) 2_665 . ?
O2 Co1 Cs3 95.12(17) 3_566 . ?
O2 Co1 Cs3 68.7(4) 4_656 . ?
O2 Co1 Cs3 52.9(4) . . ?
O2 Co1 Cs3 68.7(4) 2_665 4_656 ?
O2 Co1 Cs3 151.22(19) 3_566 4_656 ?
O2 Co1 Cs3 53.0(4) 4_656 4_656 ?
O2 Co1 Cs3 95.12(17) . 4_656 ?
Cs3 Co1 Cs3 92.91(11) . 4_656 ?
O2 Co1 Cs3 53.0(4) 2_665 2_665 ?
O2 Co1 Cs3 68.7(4) 3_566 2_665 ?
O2 Co1 Cs3 95.12(17) 4_656 2_665 ?
O2 Co1 Cs3 151.22(19) . 2_665 ?
Cs3 Co1 Cs3 154.0(5) . 2_665 ?
Cs3 Co1 Cs3 92.91(12) 4_656 2_665 ?
O2 Co1 Cs3 95.12(17) 2_665 3_566 ?
O2 Co1 Cs3 53.0(4) 3_566 3_566 ?
O2 Co1 Cs3 151.22(19) 4_656 3_566 ?
O2 Co1 Cs3 68.7(4) . 3_566 ?
Cs3 Co1 Cs3 92.91(12) . 3_566 ?
Cs3 Co1 Cs3 154.0(5) 4_656 3_566 ?
Cs3 Co1 Cs3 92.91(12) 2_665 3_566 ?
O2 Co1 Cs4 147.3(3) 2_665 . ?
O2 Co1 Cs4 101.0(3) 3_566 . ?
O2 Co1 Cs4 56.0(3) 4_656 . ?
O2 Co1 Cs4 61.8(4) . . ?
Cs3 Co1 Cs4 13.1(4) . . ?
Cs3 Co1 Cs4 82.2(4) 4_656 . ?
Cs3 Co1 Cs4 146.8(4) 2_665 . ?
Cs3 Co1 Cs4 105.8(2) 3_566 . ?
O2 Co1 Cs4 56.0(3) 2_665 3_666 ?
O2 Co1 Cs4 147.3(3) 3_566 3_666 ?
O2 Co1 Cs4 61.8(4) 4_656 3_666 ?
O2 Co1 Cs4 101.0(3) . 3_666 ?
Cs3 Co1 Cs4 105.8(2) . 3_666 ?
Cs3 Co1 Cs4 13.1(4) 4_656 3_666 ?
Cs3 Co1 Cs4 82.2(4) 2_665 3_666 ?
Cs3 Co1 Cs4 146.8(4) 3_566 3_666 ?
Cs4 Co1 Cs4 95.3(2) . 3_666 ?
O2 Co1 Cs4 101.0(3) 2_665 3_566 ?
O2 Co1 Cs4 61.8(4) 3_566 3_566 ?
O2 Co1 Cs4 147.3(3) 4_656 3_566 ?
O2 Co1 Cs4 56.0(3) . 3_566 ?
Cs3 Co1 Cs4 82.2(4) . 3_566 ?
Cs3 Co1 Cs4 146.8(4) 4_656 3_566 ?
Cs3 Co1 Cs4 105.8(2) 2_665 3_566 ?
Cs3 Co1 Cs4 13.1(4) 3_566 3_566 ?
Cs4 Co1 Cs4 95.3(3) . 3_566 ?
Cs4 Co1 Cs4 144.6(9) 3_666 3_566 ?
O2 Co1 Cs4 61.8(4) 2_665 1_565 ?
O2 Co1 Cs4 56.0(3) 3_566 1_565 ?
O2 Co1 Cs4 101.0(3) 4_656 1_565 ?
O2 Co1 Cs4 147.3(3) . 1_565 ?
Cs3 Co1 Cs4 146.8(4) . 1_565 ?
Cs3 Co1 Cs4 105.8(2) 4_656 1_565 ?
Cs3 Co1 Cs4 13.1(4) 2_665 1_565 ?
Cs3 Co1 Cs4 82.2(4) 3_566 1_565 ?
Cs4 Co1 Cs4 144.6(9) . 1_565 ?
Cs4 Co1 Cs4 95.3(3) 3_666 1_565 ?
Cs4 Co1 Cs4 95.3(2) 3_566 1_565 ?
Ge1 O1 Ge1 134.1(3) 7_556 . ?
Ge1 O1 Cs1 100.3(4) 7_556 2_655 ?
Ge1 O1 Cs1 115.5(5) . 2_655 ?
Ge1 O1 Cs6 101.2(6) 7_556 4_656 ?
Ge1 O1 Cs6 121.8(7) . 4_656 ?
Cs1 O1 Cs6 18.0(7) 2_655 4_656 ?
Ge1 O1 Cs3 110.4(2) 7_556 4_656 ?
Ge1 O1 Cs3 111.5(3) . 4_656 ?
Cs1 O1 Cs3 61.6(5) 2_655 4_656 ?
Cs6 O1 Cs3 44.1(8) 4_656 4_656 ?
Ge1 O1 Cs5 97.4(3) 7_556 3_666 ?
Ge1 O1 Cs5 105.7(2) . 3_666 ?
Cs1 O1 Cs5 96.4(4) 2_655 3_666 ?
Cs6 O1 Cs5 78.4(8) 4_656 3_666 ?
Cs3 O1 Cs5 35.9(5) 4_656 3_666 ?
Ge1 O1 Cs2 108.3(5) 7_556 2_655 ?
Ge1 O1 Cs2 104.2(6) . 2_655 ?
Cs1 O1 Cs2 11.6(3) 2_655 2_655 ?
Cs6 O1 Cs2 27.0(9) 4_656 2_655 ?
Cs3 O1 Cs2 67.4(7) 4_656 2_655 ?
Cs5 O1 Cs2 103.2(5) 3_666 2_655 ?
Ge1 O1 Cs2 104.0(4) 7_556 4_656 ?
Ge1 O1 Cs2 120.9(4) . 4_656 ?
Cs1 O1 Cs2 49.1(8) 2_655 4_656 ?
Cs6 O1 Cs2 31.2(9) 4_656 4_656 ?
Cs3 O1 Cs2 14.1(7) 4_656 4_656 ?
Cs5 O1 Cs2 47.3(7) 3_666 4_656 ?
Cs2 O1 Cs2 56.4(10) 2_655 4_656 ?
Ge1 O1 Cs1 100.2(2) 7_556 4_656 ?
Ge1 O1 Cs1 125.7(2) . 4_656 ?
Cs1 O1 Cs1 38.6(6) 2_655 4_656 ?
Cs6 O1 Cs1 20.6(8) 4_656 4_656 ?
Cs3 O1 Cs1 25.3(6) 4_656 4_656 ?
Cs5 O1 Cs1 57.9(5) 3_666 4_656 ?
Cs2 O1 Cs1 47.0(8) 2_655 4_656 ?
Cs2 O1 Cs1 11.3(4) 4_656 4_656 ?
Ge1 O1 Cs5 85.8(2) 7_556 5 ?
Ge1 O1 Cs5 104.3(2) . 5 ?
Cs1 O1 Cs5 112.8(4) 2_655 5 ?
Cs6 O1 Cs5 94.9(7) 4_656 5 ?
Cs3 O1 Cs5 54.1(5) 4_656 5 ?
Cs5 O1 Cs5 18.6(6) 3_666 5 ?
Cs2 O1 Cs5 120.8(6) 2_655 5 ?
Cs2 O1 Cs5 64.4(5) 4_656 5 ?
Cs1 O1 Cs5 74.3(4) 4_656 5 ?
Ge1 O1 Cs4 111.9(3) 7_556 3_666 ?
Ge1 O1 Cs4 105.03(19) . 3_666 ?
Cs1 O1 Cs4 74.4(4) 2_655 3_666 ?
Cs6 O1 Cs4 57.1(8) 4_656 3_666 ?
Cs3 O1 Cs4 13.0(5) 4_656 3_666 ?
Cs5 O1 Cs4 24.6(4) 3_666 3_666 ?
Cs2 O1 Cs4 79.6(5) 2_655 3_666 ?
Cs2 O1 Cs4 26.9(7) 4_656 3_666 ?
Cs1 O1 Cs4 38.2(5) 4_656 3_666 ?
Cs5 O1 Cs4 43.2(6) 5 3_666 ?
Ge1 O2 Co1 121.8(2) . . ?
Ge1 O2 Cs6 121.4(8) . . ?
Co1 O2 Cs6 116.7(8) . . ?
Ge1 O2 Cs2 122.8(3) . 4_556 ?
Co1 O2 Cs2 105.7(4) . 4_556 ?
Cs6 O2 Cs2 30.8(11) . 4_556 ?
Ge1 O2 Cs3 122.6(3) . . ?
Co1 O2 Cs3 96.2(4) . . ?
Cs6 O2 Cs3 49.4(8) . . ?
Cs2 O2 Cs3 77.1(8) 4_556 . ?
Ge1 O2 Cs2 118.3(3) . . ?
Co1 O2 Cs2 109.5(5) . . ?
Cs6 O2 Cs2 35.5(10) . . ?
Cs2 O2 Cs2 65.4(14) 4_556 . ?
Cs3 O2 Cs2 16.1(7) . . ?
Ge1 O2 Cs1 116.9(3) . . ?
Co1 O2 Cs1 116.9(4) . . ?
Cs6 O2 Cs1 23.6(9) . . ?
Cs2 O2 Cs1 54.2(10) 4_556 . ?
Cs3 O2 Cs1 28.7(7) . . ?
Cs2 O2 Cs1 12.9(4) . . ?
Ge1 O2 Cs3 116.1(3) . 4_556 ?
Co1 O2 Cs3 102.0(2) . 4_556 ?
Cs6 O2 Cs3 45.8(9) . 4_556 ?
Cs2 O2 Cs3 15.3(7) 4_556 4_556 ?
Cs3 O2 Cs3 92.2(8) . 4_556 ?
Cs2 O2 Cs3 80.7(9) . 4_556 ?
Cs1 O2 Cs3 69.3(5) . 4_556 ?
Ge1 O2 Cs1 124.3(2) . 4_556 ?
Co1 O2 Cs1 110.03(18) . 4_556 ?
Cs6 O2 Cs1 18.6(9) . 4_556 ?
Cs2 O2 Cs1 12.2(4) 4_556 4_556 ?
Cs3 O2 Cs1 65.7(5) . 4_556 ?
Cs2 O2 Cs1 53.3(11) . 4_556 ?
Cs1 O2 Cs1 42.0(8) . 4_556 ?
Cs3 O2 Cs1 27.4(6) 4_556 4_556 ?
Ge1 O2 Cs4 110.4(6) . 3_566 ?
Co1 O2 Cs4 94.5(4) . 3_566 ?
Cs6 O2 Cs4 61.6(8) . 3_566 ?
Cs2 O2 Cs4 31.0(8) 4_556 3_566 ?
Cs3 O2 Cs4 107.1(6) . 3_566 ?
Cs2 O2 Cs4 96.3(7) . 3_566 ?
Cs1 O2 Cs4 85.2(4) . 3_566 ?
Cs3 O2 Cs4 15.8(4) 4_556 3_566 ?
Cs1 O2 Cs4 43.2(5) 4_556 3_566 ?
Ge1 O3 Ge1 124.6(3) 2_665 . ?
Ge1 O3 Cs6 127.7(7) 2_665 7_556 ?
Ge1 O3 Cs6 104.9(7) . 7_556 ?
Ge1 O3 Cs6 104.9(7) 2_665 8_556 ?
Ge1 O3 Cs6 127.7(7) . 8_556 ?
Cs6 O3 Cs6 41.6(13) 7_556 8_556 ?
Ge1 O3 Cs1 111.2(2) 2_665 5 ?
Ge1 O3 Cs1 116.79(19) . 5 ?
Cs6 O3 Cs1 18.5(8) 7_556 5 ?
Cs6 O3 Cs1 46.9(9) 8_556 5 ?
Ge1 O3 Cs1 116.79(19) 2_665 6 ?
Ge1 O3 Cs1 111.2(2) . 6 ?
Cs6 O3 Cs1 46.9(9) 7_556 6 ?
Cs6 O3 Cs1 18.5(8) 8_556 6 ?
Cs1 O3 Cs1 58.5(9) 5 6 ?
Ge1 O3 Cs6 101.3(7) 2_665 5 ?
Ge1 O3 Cs6 133.0(7) . 5 ?
Cs6 O3 Cs6 28.2(8) 7_556 5 ?
Cs6 O3 Cs6 28.2(8) 8_556 5 ?
Cs1 O3 Cs6 21.9(8) 5 5 ?
Cs1 O3 Cs6 44.1(8) 6 5 ?
Ge1 O3 Cs6 133.0(7) 2_665 6 ?
Ge1 O3 Cs6 101.3(7) . 6 ?
Cs6 O3 Cs6 28.2(8) 7_556 6 ?
Cs6 O3 Cs6 28.2(8) 8_556 6 ?
Cs1 O3 Cs6 44.1(8) 5 6 ?
Cs1 O3 Cs6 21.9(8) 6 6 ?
Cs6 O3 Cs6 38.9(13) 5 6 ?
Ge1 O3 Cs2 107.4(3) 2_665 5 ?
Ge1 O3 Cs2 113.8(2) . 5 ?
Cs6 O3 Cs2 27.6(9) 7_556 5 ?
Cs6 O3 Cs2 58.3(9) 8_556 5 ?
Cs1 O3 Cs2 11.7(3) 5 5 ?
Cs1 O3 Cs2 70.2(10) 6 5 ?
Cs6 O3 Cs2 31.7(8) 5 5 ?
Cs6 O3 Cs2 55.0(9) 6 5 ?
Ge1 O3 Cs2 113.8(2) 2_665 6 ?
Ge1 O3 Cs2 107.4(3) . 6 ?
Cs6 O3 Cs2 58.3(9) 7_556 6 ?
Cs6 O3 Cs2 27.6(9) 8_556 6 ?
Cs1 O3 Cs2 70.2(10) 5 6 ?
Cs1 O3 Cs2 11.7(3) 6 6 ?
Cs6 O3 Cs2 55.0(9) 5 6 ?
Cs6 O3 Cs2 31.7(8) 6 6 ?
Cs2 O3 Cs2 81.9(12) 5 6 ?
Ge1 O3 Cs1 91.2(3) 2_665 8_556 ?
Ge1 O3 Cs1 144.1(3) . 8_556 ?
Cs6 O3 Cs1 42.9(7) 7_556 8_556 ?
Cs6 O3 Cs1 20.2(8) 8_556 8_556 ?
Cs1 O3 Cs1 38.7(4) 5 8_556 ?
Cs1 O3 Cs1 38.7(5) 6 8_556 ?
Cs6 O3 Cs1 16.9(7) 5 8_556 ?
Cs6 O3 Cs1 43.2(7) 6 8_556 ?
Cs2 O3 Cs1 47.9(6) 5 8_556 ?
Cs2 O3 Cs1 47.2(6) 6 8_556 ?
Cs2 Cs1 Cs6 131(3) . 3_556 ?
Cs2 Cs1 Cs6 140(2) . . ?
Cs6 Cs1 Cs6 87(4) 3_556 . ?
Cs2 Cs1 Cs3 11.6(11) . . ?
Cs6 Cs1 Cs3 140(2) 3_556 . ?
Cs6 Cs1 Cs3 128.5(18) . . ?
Cs2 Cs1 Cs1 131.9(11) . 3_556 ?
Cs6 Cs1 Cs1 6(2) 3_556 3_556 ?
Cs6 Cs1 Cs1 86.9(18) . 3_556 ?
Cs3 Cs1 Cs1 141.7(7) . 3_556 ?
Cs2 Cs1 Cs1 136.9(12) . 4_556 ?
Cs6 Cs1 Cs1 88(2) 3_556 4_556 ?
Cs6 Cs1 Cs1 4.7(17) . 4_556 ?
Cs3 Cs1 Cs1 125.4(5) . 4_556 ?
Cs1 Cs1 Cs1 88.79(17) 3_556 4_556 ?
Cs2 Cs1 Cs4 4.9(11) . . ?
Cs6 Cs1 Cs4 134(2) 3_556 . ?
Cs6 Cs1 Cs4 135.3(18) . . ?
Cs3 Cs1 Cs4 6.8(3) . . ?
Cs1 Cs1 Cs4 135.7(5) 3_556 . ?
Cs1 Cs1 Cs4 132.2(5) 4_556 . ?
Cs2 Cs1 Cs6 152.3(14) . 2 ?
Cs6 Cs1 Cs6 23.6(19) 3_556 2 ?
Cs6 Cs1 Cs6 63(2) . 2 ?
Cs3 Cs1 Cs6 157.4(11) . 2 ?
Cs1 Cs1 Cs6 24.8(9) 3_556 2 ?
Cs1 Cs1 Cs6 64.5(10) 4_556 2 ?
Cs4 Cs1 Cs6 154.2(11) . 2 ?
Cs2 Cs1 Cs6 154.3(16) . 4_556 ?
Cs6 Cs1 Cs6 60(3) 3_556 4_556 ?
Cs6 Cs1 Cs6 29.5(17) . 4_556 ?
Cs3 Cs1 Cs6 144.5(10) . 4_556 ?
Cs1 Cs1 Cs6 61.4(9) 3_556 4_556 ?
Cs1 Cs1 Cs6 29.5(9) 4_556 4_556 ?
Cs4 Cs1 Cs6 150.0(11) . 4_556 ?
Cs6 Cs1 Cs6 36.6(8) 2 4_556 ?
Cs2 Cs1 Cs2 129.4(10) . 4_556 ?
Cs6 Cs1 Cs2 98(2) 3_556 4_556 ?
Cs6 Cs1 Cs2 11.1(18) . 4_556 ?
Cs3 Cs1 Cs2 118.3(4) . 4_556 ?
Cs1 Cs1 Cs2 97.8(3) 3_556 4_556 ?
Cs1 Cs1 Cs2 10.7(3) 4_556 4_556 ?
Cs4 Cs1 Cs2 125.0(2) . 4_556 ?
Cs6 Cs1 Cs2 74.1(9) 2 4_556 ?
Cs6 Cs1 Cs2 40.0(8) 4_556 4_556 ?
Cs2 Cs1 Cs2 125.2(9) . 3_556 ?
Cs6 Cs1 Cs2 14(2) 3_556 3_556 ?
Cs6 Cs1 Cs2 94.5(18) . 3_556 ?
Cs3 Cs1 Cs2 135.9(6) . 3_556 ?
Cs1 Cs1 Cs2 9.7(4) 3_556 3_556 ?
Cs1 Cs1 Cs2 96.8(3) 4_556 3_556 ?
Cs4 Cs1 Cs2 129.4(5) . 3_556 ?
Cs6 Cs1 Cs2 33.9(10) 2 3_556 ?
Cs6 Cs1 Cs2 70.4(9) 4_556 3_556 ?
Cs2 Cs1 Cs2 105.3(4) 4_556 3_556 ?
Cs2 Cs1 Cs3 10.4(10) . 2_655 ?
Cs6 Cs1 Cs3 135(2) 3_556 2_655 ?
Cs6 Cs1 Cs3 138.9(18) . 2_655 ?
Cs3 Cs1 Cs3 17.1(3) . 2_655 ?
Cs1 Cs1 Cs3 134.2(4) 3_556 2_655 ?
Cs1 Cs1 Cs3 137.0(4) 4_556 2_655 ?
Cs4 Cs1 Cs3 13.0(7) . 2_655 ?
Cs6 Cs1 Cs3 157.8(10) 2 2_655 ?
Cs6 Cs1 Cs3 161.2(10) 4_556 2_655 ?
Cs2 Cs1 Cs3 127.9(3) 4_556 2_655 ?
Cs2 Cs1 Cs3 126.1(5) 3_556 2_655 ?
Cs2 Cs1 O2 79.1(9) . . ?
Cs6 Cs1 O2 147(2) 3_556 . ?
Cs6 Cs1 O2 71.0(17) . . ?
Cs3 Cs1 O2 72.5(4) . . ?
Cs1 Cs1 O2 142.4(10) 3_556 . ?
Cs1 Cs1 O2 71.6(7) 4_556 . ?
Cs4 Cs1 O2 76.9(6) . . ?
Cs6 Cs1 O2 128.6(12) 2 . ?
Cs6 Cs1 O2 100.5(9) 4_556 . ?
Cs2 Cs1 O2 60.9(6) 4_556 . ?
Cs2 Cs1 O2 141.3(6) 3_556 . ?
Cs3 Cs1 O2 72.4(4) 2_655 . ?
Cs2 Cs1 Cs1 156.5(11) . 2 ?
Cs6 Cs1 Cs1 44(2) 3_556 2 ?
Cs6 Cs1 Cs1 45.2(17) . 2 ?
Cs3 Cs1 Cs1 151.8(3) . 2 ?
Cs1 Cs1 Cs1 45.60(8) 3_556 2 ?
Cs1 Cs1 Cs1 45.60(9) 4_556 2 ?
Cs4 Cs1 Cs1 154.4(7) . 2 ?
Cs6 Cs1 Cs1 21.0(9) 2 2 ?
Cs6 Cs1 Cs1 16.3(9) 4_556 2 ?
Cs2 Cs1 Cs1 56.0(3) 4_556 2 ?
Cs2 Cs1 Cs1 54.9(3) 3_556 2 ?
Cs3 Cs1 Cs1 166.9(5) 2_655 2 ?
O2 Cs1 Cs1 115.5(5) . 2 ?
Cs2 Cs1 O2 65.6(11) . 3_556 ?
Cs6 Cs1 O2 66(2) 3_556 3_556 ?
Cs6 Cs1 O2 150.9(18) . 3_556 ?
Cs3 Cs1 O2 75.7(6) . 3_556 ?
Cs1 Cs1 O2 66.4(3) 3_556 3_556 ?
Cs1 Cs1 O2 150.6(3) 4_556 3_556 ?
Cs4 Cs1 O2 69.4(5) . 3_556 ?
Cs6 Cs1 O2 88.7(10) 2 3_556 ?
Cs6 Cs1 O2 121.4(9) 4_556 3_556 ?
Cs2 Cs1 O2 161.3(2) 4_556 3_556 ?
Cs2 Cs1 O2 60.3(4) 3_556 3_556 ?
Cs3 Cs1 O2 69.1(5) 2_655 3_556 ?
O2 Cs1 O2 137.7(6) . 3_556 ?
Cs1 Cs1 O2 105.7(4) 2 3_556 ?
Cs2 Cs1 O3 95.9(15) . 5_444 ?
Cs6 Cs1 O3 72(2) 3_556 5_444 ?
Cs6 Cs1 O3 81.4(17) . 5_444 ?
Cs3 Cs1 O3 92.2(7) . 5_444 ?
Cs1 Cs1 O3 77.6(3) 3_556 5_444 ?
Cs1 Cs1 O3 77.6(3) 4_556 5_444 ?
Cs4 Cs1 O3 93.7(9) . 5_444 ?
Cs6 Cs1 O3 69.1(9) 2 5_444 ?
Cs6 Cs1 O3 63.2(9) 4_556 5_444 ?
Cs2 Cs1 O3 85.2(2) 4_556 5_444 ?
Cs2 Cs1 O3 84.6(3) 3_556 5_444 ?
Cs3 Cs1 O3 106.2(8) 2_655 5_444 ?
O2 Cs1 O3 126.0(2) . 5_444 ?
Cs1 Cs1 O3 60.8(4) 2 5_444 ?
O2 Cs1 O3 81.8(2) 3_556 5_444 ?
Cs2 Cs1 O1 96.0(9) . 2_655 ?
Cs6 Cs1 O1 82(2) 3_556 2_655 ?
Cs6 Cs1 O1 104(2) . 2_655 ?
Cs3 Cs1 O1 103.6(5) . 2_655 ?
Cs1 Cs1 O1 76.9(8) 3_556 2_655 ?
Cs1 Cs1 O1 108.5(9) 4_556 2_655 ?
Cs4 Cs1 O1 99.8(7) . 2_655 ?
Cs6 Cs1 O1 90.0(10) 2 2_655 ?
Cs6 Cs1 O1 109.2(11) 4_556 2_655 ?
Cs2 Cs1 O1 104.9(6) 4_556 2_655 ?
Cs2 Cs1 O1 69.2(6) 3_556 2_655 ?
Cs3 Cs1 O1 87.0(4) 2_655 2_655 ?
O2 Cs1 O1 79.46(16) . 2_655 ?
Cs1 Cs1 O1 104.4(4) 2 2_655 ?
O2 Cs1 O1 81.86(19) 3_556 2_655 ?
O3 Cs1 O1 153.6(4) 5_444 2_655 ?
Cs2 Cs1 Cs5 27.2(12) . . ?
Cs6 Cs1 Cs5 121(2) 3_556 . ?
Cs6 Cs1 Cs5 127.4(19) . . ?
Cs3 Cs1 Cs5 24.2(4) . . ?
Cs1 Cs1 Cs5 125.1(5) 3_556 . ?
Cs1 Cs1 Cs5 122.9(5) 4_556 . ?
Cs4 Cs1 Cs5 24.7(6) . . ?
Cs6 Cs1 Cs5 133.7(10) 2 . ?
Cs6 Cs1 Cs5 128.6(9) 4_556 . ?
Cs2 Cs1 Cs5 120.5(2) 4_556 . ?
Cs2 Cs1 Cs5 123.4(3) 3_556 . ?
Cs3 Cs1 Cs5 37.3(5) 2_655 . ?
O2 Cs1 Cs5 92.3(5) . . ?
Cs1 Cs1 Cs5 129.8(2) 2 . ?
O2 Cs1 Cs5 66.7(4) 3_556 . ?
O3 Cs1 Cs5 69.0(4) 5_444 . ?
O1 Cs1 Cs5 122.1(6) 2_655 . ?
Cs2 Cs1 Cs3 116.7(10) . 3_556 ?
Cs6 Cs1 Cs3 26(2) 3_556 3_556 ?
Cs6 Cs1 Cs3 103(2) . 3_556 ?
Cs3 Cs1 Cs3 128.1(7) . 3_556 ?
Cs1 Cs1 Cs3 21.5(6) 3_556 3_556 ?
Cs1 Cs1 Cs3 106.2(6) 4_556 3_556 ?
Cs4 Cs1 Cs3 121.3(5) . 3_556 ?
Cs6 Cs1 Cs3 45.2(10) 2 3_556 ?
Cs6 Cs1 Cs3 81.3(10) 4_556 3_556 ?
Cs2 Cs1 Cs3 113.6(5) 4_556 3_556 ?
Cs2 Cs1 Cs3 11.8(5) 3_556 3_556 ?
Cs3 Cs1 Cs3 116.0(5) 2_655 3_556 ?
O2 Cs1 Cs3 136.8(4) . 3_556 ?
Cs1 Cs1 Cs3 66.2(4) 2 3_556 ?
O2 Cs1 Cs3 54.33(18) 3_556 3_556 ?
O3 Cs1 Cs3 93.7(3) 5_444 3_556 ?
O1 Cs1 Cs3 59.9(3) 2_655 3_556 ?
Cs5 Cs1 Cs3 120.4(4) . 3_556 ?
Cs2 Cs1 O1 79.8(14) . 3_566 ?
Cs6 Cs1 O1 116(2) 3_556 3_566 ?
Cs6 Cs1 O1 69.1(18) . 3_566 ?
Cs3 Cs1 O1 69.6(5) . 3_566 ?
Cs1 Cs1 O1 121.3(3) 3_556 3_566 ?
Cs1 Cs1 O1 64.5(3) 4_556 3_566 ?
Cs4 Cs1 O1 75.2(7) . 3_566 ?
Cs6 Cs1 O1 103.4(9) 2 3_566 ?
Cs6 Cs1 O1 75.0(9) 4_556 3_566 ?
Cs2 Cs1 O1 64.3(2) 4_556 3_566 ?
Cs2 Cs1 O1 129.9(3) 3_556 3_566 ?
Cs3 Cs1 O1 86.5(6) 2_655 3_566 ?
O2 Cs1 O1 79.4(2) . 3_566 ?
Cs1 Cs1 O1 85.0(4) 2 3_566 ?
O2 Cs1 O1 114.3(5) 3_556 3_566 ?
O3 Cs1 O1 47.24(12) 5_444 3_566 ?
O1 Cs1 O1 158.8(2) 2_655 3_566 ?
Cs5 Cs1 O1 58.8(3) . 3_566 ?
Cs3 Cs1 O1 140.3(4) 3_556 3_566 ?
Cs1 Cs2 Cs3 159(2) . . ?
Cs1 Cs2 Cs6 29.7(17) . 3_556 ?
Cs3 Cs2 Cs6 162.4(16) . 3_556 ?
Cs1 Cs2 Cs4 173.1(16) . . ?
Cs3 Cs2 Cs4 14.2(9) . . ?
Cs6 Cs2 Cs4 154.7(15) 3_556 . ?
Cs1 Cs2 Cs6 26.0(16) . . ?
Cs3 Cs2 Cs6 133.3(17) . . ?
Cs6 Cs2 Cs6 54(2) 3_556 . ?
Cs4 Cs2 Cs6 147.5(14) . . ?
Cs1 Cs2 Cs3 166.6(12) . 2_655 ?
Cs3 Cs2 Cs3 27.1(11) . 2_655 ?
Cs6 Cs2 Cs3 153.3(15) 3_556 2_655 ?
Cs4 Cs2 Cs3 17.1(9) . 2_655 ?
Cs6 Cs2 Cs3 151.1(14) . 2_655 ?
Cs1 Cs2 Cs5 146.3(16) . . ?
Cs3 Cs2 Cs5 30.2(6) . . ?
Cs6 Cs2 Cs5 132.2(14) 3_556 . ?
Cs4 Cs2 Cs5 30.3(9) . . ?
Cs6 Cs2 Cs5 133.4(13) . . ?
Cs3 Cs2 Cs5 46.9(7) 2_655 . ?
Cs1 Cs2 Cs1 37.4(10) . 3_556 ?
Cs3 Cs2 Cs1 158.6(10) . 3_556 ?
Cs6 Cs2 Cs1 8.7(14) 3_556 3_556 ?
Cs4 Cs2 Cs1 147.8(6) . 3_556 ?
Cs6 Cs2 Cs1 62.6(14) . 3_556 ?
Cs3 Cs2 Cs1 144.6(4) 2_655 3_556 ?
Cs5 Cs2 Cs1 129.9(3) . 3_556 ?
Cs1 Cs2 Cs1 33.4(10) . 4_556 ?
Cs3 Cs2 Cs1 125.7(13) . 4_556 ?
Cs6 Cs2 Cs1 60.6(14) 3_556 4_556 ?
Cs4 Cs2 Cs1 139.9(7) . 4_556 ?
Cs6 Cs2 Cs1 7.9(12) . 4_556 ?
Cs3 Cs2 Cs1 145.6(7) 2_655 4_556 ?
Cs5 Cs2 Cs1 126.2(4) . 4_556 ?
Cs1 Cs2 Cs1 69.1(5) 3_556 4_556 ?
Cs1 Cs2 O2 102.3(14) . 3_556 ?
Cs3 Cs2 O2 96.0(14) . 3_556 ?
Cs6 Cs2 O2 72.8(14) 3_556 3_556 ?
Cs4 Cs2 O2 83.1(8) . 3_556 ?
Cs6 Cs2 O2 126.7(17) . 3_556 ?
Cs3 Cs2 O2 82.1(8) 2_655 3_556 ?
Cs5 Cs2 O2 77.7(6) . 3_556 ?
Cs1 Cs2 O2 64.9(6) 3_556 3_556 ?
Cs1 Cs2 O2 132.1(9) 4_556 3_556 ?
Cs1 Cs2 Cs2 155.8(11) . 2_655 ?
Cs3 Cs2 Cs2 32.4(10) . 2_655 ?
Cs6 Cs2 Cs2 155.0(15) 3_556 2_655 ?
Cs4 Cs2 Cs2 26.4(10) . 2_655 ?
Cs6 Cs2 Cs2 142.4(13) . 2_655 ?
Cs3 Cs2 Cs2 11.1(4) 2_655 2_655 ?
Cs5 Cs2 Cs2 56.7(6) . 2_655 ?
Cs1 Cs2 Cs2 146.8(5) 3_556 2_655 ?
Cs1 Cs2 Cs2 138.4(7) 4_556 2_655 ?
O2 Cs2 Cs2 89.4(9) 3_556 2_655 ?
Cs1 Cs2 O2 88.0(9) . . ?
Cs3 Cs2 O2 79.7(11) . . ?
Cs6 Cs2 O2 116.3(17) 3_556 . ?
Cs4 Cs2 O2 88.9(10) . . ?
Cs6 Cs2 O2 69.1(12) . . ?
Cs3 Cs2 O2 83.1(9) 2_655 . ?
Cs5 Cs2 O2 106.6(9) . . ?
Cs1 Cs2 O2 121.7(10) 3_556 . ?
Cs1 Cs2 O2 66.3(8) 4_556 . ?
O2 Cs2 O2 154.3(8) 3_556 . ?
Cs2 Cs2 O2 73.4(7) 2_655 . ?
Cs1 Cs2 Cs6 21.7(12) . 2 ?
Cs3 Cs2 Cs6 161.2(12) . 2 ?
Cs6 Cs2 Cs6 10.6(14) 3_556 2 ?
Cs4 Cs2 Cs6 160.6(11) . 2 ?
Cs6 Cs2 Cs6 44.4(19) . 2 ?
Cs3 Cs2 Cs6 163.8(9) 2_655 2 ?
Cs5 Cs2 Cs6 132.7(9) . 2 ?
Cs1 Cs2 Cs6 19.3(7) 3_556 2 ?
Cs1 Cs2 Cs6 50.4(9) 4_556 2 ?
O2 Cs2 Cs6 82.3(10) 3_556 2 ?
Cs2 Cs2 Cs6 164.7(9) 2_655 2 ?
O2 Cs2 Cs6 109.7(12) . 2 ?
Cs1 Cs2 Cs6 20.2(13) . 4_556 ?
Cs3 Cs2 Cs6 141.1(14) . 4_556 ?
Cs6 Cs2 Cs6 39.6(19) 3_556 4_556 ?
Cs4 Cs2 Cs6 153.5(11) . 4_556 ?
Cs6 Cs2 Cs6 19.7(14) . 4_556 ?
Cs3 Cs2 Cs6 167.0(9) 2_655 4_556 ?
Cs5 Cs2 Cs6 127.4(8) . 4_556 ?
Cs1 Cs2 Cs6 48.3(7) 3_556 4_556 ?
Cs1 Cs2 Cs6 23.1(7) 4_556 4_556 ?
O2 Cs2 Cs6 109.1(11) 3_556 4_556 ?
Cs2 Cs2 Cs6 161.5(9) 2_655 4_556 ?
O2 Cs2 Cs6 88.7(10) . 4_556 ?
Cs6 Cs2 Cs6 29.0(7) 2 4_556 ?
Cs1 Cs2 Cs2 44.8(8) . 3_556 ?
Cs3 Cs2 Cs2 154.0(12) . 3_556 ?
Cs6 Cs2 Cs2 18.0(14) 3_556 3_556 ?
Cs4 Cs2 Cs2 141.1(6) . 3_556 ?
Cs6 Cs2 Cs2 70.5(13) . 3_556 ?
Cs3 Cs2 Cs2 135.6(5) 2_655 3_556 ?
Cs5 Cs2 Cs2 128.9(4) . 3_556 ?
Cs1 Cs2 Cs2 9.4(3) 3_556 3_556 ?
Cs1 Cs2 Cs2 77.5(3) 4_556 3_556 ?
O2 Cs2 Cs2 58.1(7) 3_556 3_556 ?
Cs2 Cs2 Cs2 137.3(7) 2_655 3_556 ?
O2 Cs2 Cs2 124.3(7) . 3_556 ?
Cs6 Cs2 Cs2 28.5(8) 2 3_556 ?
Cs6 Cs2 Cs2 57.4(7) 4_556 3_556 ?
Cs1 Cs2 Cs2 41.1(8) . 4_556 ?
Cs3 Cs2 Cs2 118.5(13) . 4_556 ?
Cs6 Cs2 Cs2 69.6(14) 3_556 4_556 ?
Cs4 Cs2 Cs2 132.6(7) . 4_556 ?
Cs6 Cs2 Cs2 15.4(13) . 4_556 ?
Cs3 Cs2 Cs2 136.1(6) 2_655 4_556 ?
Cs5 Cs2 Cs2 124.5(5) . 4_556 ?
Cs1 Cs2 Cs2 77.9(3) 3_556 4_556 ?
Cs1 Cs2 Cs2 10.0(2) 4_556 4_556 ?
O2 Cs2 Cs2 141.8(8) 3_556 4_556 ?
Cs2 Cs2 Cs2 128.5(6) 2_655 4_556 ?
O2 Cs2 Cs2 56.5(7) . 4_556 ?
Cs6 Cs2 Cs2 59.7(8) 2 4_556 ?
Cs6 Cs2 Cs2 33.0(7) 4_556 4_556 ?
Cs2 Cs2 Cs2 85.85(13) 3_556 4_556 ?
Cs1 Cs2 O3 72.4(16) . 5_444 ?
Cs3 Cs2 O3 100.2(6) . 5_444 ?
Cs6 Cs2 O3 65.5(15) 3_556 5_444 ?
Cs4 Cs2 O3 104.4(11) . 5_444 ?
Cs6 Cs2 O3 71.4(13) . 5_444 ?
Cs3 Cs2 O3 121.0(7) 2_655 5_444 ?
Cs5 Cs2 O3 74.2(3) . 5_444 ?
Cs1 Cs2 O3 69.2(3) 3_556 5_444 ?
Cs1 Cs2 O3 68.8(3) 4_556 5_444 ?
O2 Cs2 O3 82.7(3) 3_556 5_444 ?
Cs2 Cs2 O3 130.8(6) 2_655 5_444 ?
O2 Cs2 O3 122.9(6) . 5_444 ?
Cs6 Cs2 O3 61.0(9) 2 5_444 ?
Cs6 Cs2 O3 56.1(8) 4_556 5_444 ?
Cs2 Cs2 O3 75.9(4) 3_556 5_444 ?
Cs2 Cs2 O3 75.9(4) 4_556 5_444 ?
Cs1 Cs2 O1 72.3(9) . 2_655 ?
Cs3 Cs2 O1 120.7(15) . 2_655 ?
Cs6 Cs2 O1 72.4(15) 3_556 2_655 ?
Cs4 Cs2 O1 112.9(12) . 2_655 ?
Cs6 Cs2 O1 86.4(14) . 2_655 ?
Cs3 Cs2 O1 95.9(7) 2_655 2_655 ?
Cs5 Cs2 O1 139.7(11) . 2_655 ?
Cs1 Cs2 O1 68.7(8) 3_556 2_655 ?
Cs1 Cs2 O1 92.9(8) 4_556 2_655 ?
O2 Cs2 O1 82.8(3) 3_556 2_655 ?
Cs2 Cs2 O1 88.4(7) 2_655 2_655 ?
O2 Cs2 O1 77.97(19) . 2_655 ?
Cs6 Cs2 O1 77.8(9) 2 2_655 ?
Cs6 Cs2 O1 92.3(10) 4_556 2_655 ?
Cs2 Cs2 O1 62.7(7) 3_556 2_655 ?
Cs2 Cs2 O1 92.1(6) 4_556 2_655 ?
O3 Cs2 O1 137.7(11) 5_444 2_655 ?
Cs1 Cs2 O1 88.9(15) . 3_566 ?
Cs3 Cs2 O1 72.5(8) . 3_566 ?
Cs6 Cs2 O1 101.5(16) 3_556 3_566 ?
Cs4 Cs2 O1 84.6(9) . 3_566 ?
Cs6 Cs2 O1 69.0(13) . 3_566 ?
Cs3 Cs2 O1 99.6(7) 2_655 3_566 ?
Cs5 Cs2 O1 64.5(3) . 3_566 ?
Cs1 Cs2 O1 108.5(5) 3_556 3_566 ?
Cs1 Cs2 O1 61.7(3) 4_556 3_566 ?
O2 Cs2 O1 122.2(2) 3_556 3_566 ?
Cs2 Cs2 O1 102.9(7) 2_655 3_566 ?
O2 Cs2 O1 81.0(3) . 3_566 ?
Cs6 Cs2 O1 92.4(10) 2 3_566 ?
Cs6 Cs2 O1 69.0(8) 4_556 3_566 ?
Cs2 Cs2 O1 117.3(5) 3_556 3_566 ?
Cs2 Cs2 O1 60.8(5) 4_556 3_566 ?
O3 Cs2 O1 46.82(19) 5_444 3_566 ?
O1 Cs2 O1 152.1(8) 2_655 3_566 ?
Cs1 Cs2 O2 116.0(11) . 2_655 ?
Cs3 Cs2 O2 82.7(16) . 2_655 ?
Cs6 Cs2 O2 101.5(14) 3_556 2_655 ?
Cs4 Cs2 O2 70.5(10) . 2_655 ?
Cs6 Cs2 O2 133.8(14) . 2_655 ?
Cs3 Cs2 O2 55.7(6) 2_655 2_655 ?
Cs5 Cs2 O2 92.6(9) . 2_655 ?
Cs1 Cs2 O2 93.6(6) 3_556 2_655 ?
Cs1 Cs2 O2 140.3(7) 4_556 2_655 ?
O2 Cs2 O2 56.9(3) 3_556 2_655 ?
Cs2 Cs2 O2 53.6(6) 2_655 2_655 ?
O2 Cs2 O2 97.4(5) . 2_655 ?
Cs6 Cs2 O2 111.3(9) 2 2_655 ?
Cs6 Cs2 O2 135.9(10) 4_556 2_655 ?
Cs2 Cs2 O2 84.3(7) 3_556 2_655 ?
Cs2 Cs2 O2 137.9(5) 4_556 2_655 ?
O3 Cs2 O2 139.5(3) 5_444 2_655 ?
O1 Cs2 O2 47.47(19) 2_655 2_655 ?
O1 Cs2 O2 155.1(12) 3_566 2_655 ?
Cs2 Cs3 Cs4 152.2(13) . . ?
Cs2 Cs3 Cs1 9.4(11) . . ?
Cs4 Cs3 Cs1 161.6(8) . . ?
Cs2 Cs3 Cs3 139.3(12) . 2_655 ?
Cs4 Cs3 Cs3 22.8(19) . 2_655 ?
Cs1 Cs3 Cs3 147.2(5) . 2_655 ?
Cs2 Cs3 Cs5 137.8(7) . . ?
Cs4 Cs3 Cs5 43.8(17) . . ?
Cs1 Cs3 Cs5 138.3(5) . . ?
Cs3 Cs3 Cs5 66.6(4) 2_655 . ?
Cs2 Cs3 Cs2 136.5(12) . 2_655 ?
Cs4 Cs3 Cs2 34.0(19) . 2_655 ?
Cs1 Cs3 Cs2 142.0(7) . 2_655 ?
Cs3 Cs3 Cs2 13.6(5) 2_655 2_655 ?
Cs5 Cs3 Cs2 76.8(8) . 2_655 ?
Cs2 Cs3 Cs6 11.5(11) . 3_556 ?
Cs4 Cs3 Cs6 147.4(10) . 3_556 ?
Cs1 Cs3 Cs6 16.2(9) . 3_556 ?
Cs3 Cs3 Cs6 141.7(10) 2_655 3_556 ?
Cs5 Cs3 Cs6 126.4(10) . 3_556 ?
Cs2 Cs3 Cs6 142.8(10) 2_655 3_556 ?
Cs2 Cs3 Cs6 32.3(15) . . ?
Cs4 Cs3 Cs6 175.2(13) . . ?
Cs1 Cs3 Cs6 23.0(10) . . ?
Cs3 Cs3 Cs6 156.8(9) 2_655 . ?
Cs5 Cs3 Cs6 135.9(10) . . ?
Cs2 Cs3 Cs6 144.5(10) 2_655 . ?
Cs6 Cs3 Cs6 37.4(15) 3_556 . ?
Cs2 Cs3 O2 84.2(12) . . ?
Cs4 Cs3 O2 112.6(15) . . ?
Cs1 Cs3 O2 78.9(8) . . ?
Cs3 Cs3 O2 97.7(8) 2_655 . ?
Cs5 Cs3 O2 132.0(7) . . ?
Cs2 Cs3 O2 84.2(4) 2_655 . ?
Cs6 Cs3 O2 94.7(11) 3_556 . ?
Cs6 Cs3 O2 63.8(9) . . ?
Cs2 Cs3 Cs1 133.6(10) . 2_655 ?
Cs4 Cs3 Cs1 36.8(19) . 2_655 ?
Cs1 Cs3 Cs1 139.0(7) . 2_655 ?
Cs3 Cs3 Cs1 15.7(6) 2_655 2_655 ?
Cs5 Cs3 Cs1 79.8(8) . 2_655 ?
Cs2 Cs3 Cs1 3.0(2) 2_655 2_655 ?
Cs6 Cs3 Cs1 140.2(10) 3_556 2_655 ?
Cs6 Cs3 Cs1 141.8(10) . 2_655 ?
O2 Cs3 Cs1 82.4(3) . 2_655 ?
Cs2 Cs3 Cs5 131.3(7) . 7 ?
Cs4 Cs3 Cs5 52.1(19) . 7 ?
Cs1 Cs3 Cs5 130.8(4) . 7 ?
Cs3 Cs3 Cs5 74.8(3) 2_655 7 ?
Cs5 Cs3 Cs5 8.3(3) . 7 ?
Cs2 Cs3 Cs5 85.0(7) 2_655 7 ?
Cs6 Cs3 Cs5 120.0(9) 3_556 7 ?
Cs6 Cs3 Cs5 127.7(9) . 7 ?
O2 Cs3 Cs5 133.1(6) . 7 ?
Cs1 Cs3 Cs5 88.0(7) 2_655 7 ?
Cs2 Cs3 O2 68.7(9) . 3_556 ?
Cs4 Cs3 O2 85.9(4) . 3_556 ?
Cs1 Cs3 O2 76.9(4) . 3_556 ?
Cs3 Cs3 O2 88.1(4) 2_655 3_556 ?
Cs5 Cs3 O2 83.8(3) . 3_556 ?
Cs2 Cs3 O2 98.3(3) 2_655 3_556 ?
Cs6 Cs3 O2 61.5(9) 3_556 3_556 ?
Cs6 Cs3 O2 98.8(11) . 3_556 ?
O2 Cs3 O2 143.0(7) . 3_556 ?
Cs1 Cs3 O2 98.1(3) 2_655 3_556 ?
Cs5 Cs3 O2 83.7(3) 7 3_556 ?
Cs2 Cs3 O1 93.4(13) . 3_566 ?
Cs4 Cs3 O1 109.7(16) . 3_566 ?
Cs1 Cs3 O1 85.1(5) . 3_566 ?
Cs3 Cs3 O1 127.3(8) 2_655 3_566 ?
Cs5 Cs3 O1 73.6(3) . 3_566 ?
Cs2 Cs3 O1 126.8(8) 2_655 3_566 ?
Cs6 Cs3 O1 89.9(10) 3_556 3_566 ?
Cs6 Cs3 O1 67.4(9) . 3_566 ?
O2 Cs3 O1 84.1(2) . 3_566 ?
Cs1 Cs3 O1 128.8(7) 2_655 3_566 ?
Cs5 Cs3 O1 66.9(3) 7 3_566 ?
O2 Cs3 O1 120.9(2) 3_556 3_566 ?
Cs2 Cs3 Cs1 42.5(15) . 4_556 ?
Cs4 Cs3 Cs1 165.3(10) . 4_556 ?
Cs1 Cs3 Cs1 33.1(6) . 4_556 ?
Cs3 Cs3 Cs1 157.4(6) 2_655 4_556 ?
Cs5 Cs3 Cs1 129.9(3) . 4_556 ?
Cs2 Cs3 Cs1 143.9(4) 2_655 4_556 ?
Cs6 Cs3 Cs1 46.6(10) 3_556 4_556 ?
Cs6 Cs3 Cs1 10.3(9) . 4_556 ?
O2 Cs3 Cs1 60.0(4) . 4_556 ?
Cs1 Cs3 Cs1 141.7(3) 2_655 4_556 ?
Cs5 Cs3 Cs1 122.0(2) 7 4_556 ?
O2 Cs3 Cs1 107.5(8) 3_556 4_556 ?
O1 Cs3 Cs1 58.5(2) 3_566 4_556 ?
Cs2 Cs3 O2 140.3(12) . 4_656 ?
Cs4 Cs3 O2 64.2(8) . 4_656 ?
Cs1 Cs3 O2 132.7(6) . 4_656 ?
Cs3 Cs3 O2 64.3(8) 2_655 4_656 ?
Cs5 Cs3 O2 75.0(6) . 4_656 ?
Cs2 Cs3 O2 56.8(5) 2_655 4_656 ?
Cs6 Cs3 O2 148.4(10) 3_556 4_656 ?
Cs6 Cs3 O2 111.1(9) . 4_656 ?
O2 Cs3 O2 57.8(2) . 4_656 ?
Cs1 Cs3 O2 57.9(4) 2_655 4_656 ?
Cs5 Cs3 O2 78.2(5) 7 4_656 ?
O2 Cs3 O2 150.1(7) 3_556 4_656 ?
O1 Cs3 O2 73.2(3) 3_566 4_656 ?
Cs1 Cs3 O2 102.3(4) 4_556 4_656 ?
Cs2 Cs3 Cs1 16.4(7) . 3_556 ?
Cs4 Cs3 Cs1 139.9(5) . 3_556 ?
Cs1 Cs3 Cs1 23.1(3) . 3_556 ?
Cs3 Cs3 Cs1 135.4(6) 2_655 3_556 ?
Cs5 Cs3 Cs1 122.8(3) . 3_556 ?
Cs2 Cs3 Cs1 138.2(5) 2_655 3_556 ?
Cs6 Cs3 Cs1 7.5(9) 3_556 3_556 ?
Cs6 Cs3 Cs1 44.8(10) . 3_556 ?
O2 Cs3 Cs1 100.6(7) . 3_556 ?
Cs1 Cs3 Cs1 136.0(4) 2_655 3_556 ?
Cs5 Cs3 Cs1 117.3(2) 7 3_556 ?
O2 Cs3 Cs1 54.1(3) 3_556 3_556 ?
O1 Cs3 Cs1 95.0(6) 3_566 3_556 ?
Cs1 Cs3 Cs1 54.1(7) 4_556 3_556 ?
O2 Cs3 Cs1 155.7(6) 4_656 3_556 ?
Cs2 Cs3 O2 83.9(12) . 2_655 ?
Cs4 Cs3 O2 72.2(14) . 2_655 ?
Cs1 Cs3 O2 92.3(5) . 2_655 ?
Cs3 Cs3 O2 55.6(3) 2_655 2_655 ?
Cs5 Cs3 O2 106.7(5) . 2_655 ?
Cs2 Cs3 O2 56.7(2) 2_655 2_655 ?
Cs6 Cs3 O2 86.9(9) 3_556 2_655 ?
Cs6 Cs3 O2 110.8(12) . 2_655 ?
O2 Cs3 O2 98.2(3) . 2_655 ?
Cs1 Cs3 O2 54.70(18) 2_655 2_655 ?
Cs5 Cs3 O2 113.0(5) 7 2_655 ?
O2 Cs3 O2 55.66(17) 3_556 2_655 ?
O1 Cs3 O2 176.2(5) 3_566 2_655 ?
Cs1 Cs3 O2 120.1(7) 4_556 2_655 ?
O2 Cs3 O2 110.6(4) 4_656 2_655 ?
Cs1 Cs3 O2 81.6(4) 3_556 2_655 ?
Cs2 Cs3 O3 66.5(9) . 5_444 ?
Cs4 Cs3 O3 119.3(18) . 5_444 ?
Cs1 Cs3 O3 63.1(4) . 5_444 ?
Cs3 Cs3 O3 141.2(3) 2_655 5_444 ?
Cs5 Cs3 O3 76.5(3) . 5_444 ?
Cs2 Cs3 O3 153.2(8) 2_655 5_444 ?
Cs6 Cs3 O3 57.2(9) 3_556 5_444 ?
Cs6 Cs3 O3 61.8(9) . 5_444 ?
O2 Cs3 O3 116.2(5) . 5_444 ?
Cs1 Cs3 O3 156.1(7) 2_655 5_444 ?
Cs5 Cs3 O3 68.43(18) 7 5_444 ?
O2 Cs3 O3 76.2(2) 3_556 5_444 ?
O1 Cs3 O3 45.91(12) 3_566 5_444 ?
Cs1 Cs3 O3 60.4(5) 4_556 5_444 ?
O2 Cs3 O3 117.8(3) 4_656 5_444 ?
Cs1 Cs3 O3 58.7(4) 3_556 5_444 ?
O2 Cs3 O3 130.3(4) 2_655 5_444 ?
Cs2 Cs3 Cs2 50.0(16) . 4_556 ?
Cs4 Cs3 Cs2 157.3(9) . 4_556 ?
Cs1 Cs3 Cs2 40.8(7) . 4_556 ?
Cs3 Cs3 Cs2 148.9(7) 2_655 4_556 ?
Cs5 Cs3 Cs2 130.9(3) . 4_556 ?
Cs2 Cs3 Cs2 135.4(5) 2_655 4_556 ?
Cs6 Cs3 Cs2 55.3(11) 3_556 4_556 ?
Cs6 Cs3 Cs2 18.0(10) . 4_556 ?
O2 Cs3 Cs2 51.2(5) . 4_556 ?
Cs1 Cs3 Cs2 133.5(4) 2_655 4_556 ?
Cs5 Cs3 Cs2 123.7(2) 7 4_556 ?
O2 Cs3 Cs2 116.6(8) 3_556 4_556 ?
O1 Cs3 Cs2 57.5(3) 3_566 4_556 ?
Cs1 Cs3 Cs2 9.5(2) 4_556 4_556 ?
O2 Cs3 Cs2 93.3(5) 4_656 4_556 ?
Cs1 Cs3 Cs2 62.8(8) 3_556 4_556 ?
O2 Cs3 Cs2 121.8(6) 2_655 4_556 ?
O3 Cs3 Cs2 67.3(4) 5_444 4_556 ?
Cs3 Cs4 Cs3 134(4) 2_655 . ?
Cs3 Cs4 Cs5 112.8(19) 2_655 . ?
Cs3 Cs4 Cs5 112.8(19) . . ?
Cs3 Cs4 Cs2 13.6(6) 2_655 2_655 ?
Cs3 Cs4 Cs2 129(3) . 2_655 ?
Cs5 Cs4 Cs2 116.4(10) . 2_655 ?
Cs3 Cs4 Cs2 129(3) 2_655 . ?
Cs3 Cs4 Cs2 13.6(6) . . ?
Cs5 Cs4 Cs2 116.4(10) . . ?
Cs2 Cs4 Cs2 127(2) 2_655 . ?
Cs3 Cs4 Cs1 130(2) 2_655 . ?
Cs3 Cs4 Cs1 11.6(6) . . ?
Cs5 Cs4 Cs1 115.5(7) . . ?
Cs2 Cs4 Cs1 128.0(16) 2_655 . ?
Cs2 Cs4 Cs1 2.0(5) . . ?
Cs3 Cs4 Cs1 11.6(6) 2_655 2_655 ?
Cs3 Cs4 Cs1 130(2) . 2_655 ?
Cs5 Cs4 Cs1 115.5(7) . 2_655 ?
Cs2 Cs4 Cs1 2.0(5) 2_655 2_655 ?
Cs2 Cs4 Cs1 128.0(16) . 2_655 ?
Cs1 Cs4 Cs1 128.9(14) . 2_655 ?
Cs3 Cs4 Cs5 112.8(19) 2_655 7 ?
Cs3 Cs4 Cs5 112.8(19) . 7 ?
Cs5 Cs4 Cs5 0.0 . 7 ?
Cs2 Cs4 Cs5 116.4(10) 2_655 7 ?
Cs2 Cs4 Cs5 116.4(10) . 7 ?
Cs1 Cs4 Cs5 115.5(7) . 7 ?
Cs1 Cs4 Cs5 115.5(7) 2_655 7 ?
Cs3 Cs4 Cs6 23.9(8) 2_655 4_656 ?
Cs3 Cs4 Cs6 131(2) . 4_656 ?
Cs5 Cs4 Cs6 109.8(9) . 4_656 ?
Cs2 Cs4 Cs6 12.2(7) 2_655 4_656 ?
Cs2 Cs4 Cs6 132.5(16) . 4_656 ?
Cs1 Cs4 Cs6 132.9(13) . 4_656 ?
Cs1 Cs4 Cs6 13.4(7) 2_655 4_656 ?
Cs5 Cs4 Cs6 109.8(9) 7 4_656 ?
Cs3 Cs4 Cs6 131(2) 2_655 3_556 ?
Cs3 Cs4 Cs6 23.9(8) . 3_556 ?
Cs5 Cs4 Cs6 109.8(9) . 3_556 ?
Cs2 Cs4 Cs6 132.5(16) 2_655 3_556 ?
Cs2 Cs4 Cs6 12.2(7) . 3_556 ?
Cs1 Cs4 Cs6 13.4(7) . 3_556 ?
Cs1 Cs4 Cs6 132.9(13) 2_655 3_556 ?
Cs5 Cs4 Cs6 109.8(9) 7 3_556 ?
Cs6 Cs4 Cs6 140.4(17) 4_656 3_556 ?
Cs3 Cs4 O2 78.2(5) 2_655 4_656 ?
Cs3 Cs4 O2 101.6(8) . 4_656 ?
Cs5 Cs4 O2 90.2(5) . 4_656 ?
Cs2 Cs4 O2 65.9(4) 2_655 4_656 ?
Cs2 Cs4 O2 113.9(6) . 4_656 ?
Cs1 Cs4 O2 112.3(4) . 4_656 ?
Cs1 Cs4 O2 67.5(2) 2_655 4_656 ?
Cs5 Cs4 O2 90.2(5) 7 4_656 ?
Cs6 Cs4 O2 54.3(6) 4_656 4_656 ?
Cs6 Cs4 O2 125.5(7) 3_556 4_656 ?
Cs3 Cs4 O2 101.6(8) 2_655 3_556 ?
Cs3 Cs4 O2 78.2(5) . 3_556 ?
Cs5 Cs4 O2 90.2(5) . 3_556 ?
Cs2 Cs4 O2 113.9(6) 2_655 3_556 ?
Cs2 Cs4 O2 65.9(4) . 3_556 ?
Cs1 Cs4 O2 67.5(2) . 3_556 ?
Cs1 Cs4 O2 112.3(4) 2_655 3_556 ?
Cs5 Cs4 O2 90.2(5) 7 3_556 ?
Cs6 Cs4 O2 125.5(7) 4_656 3_556 ?
Cs6 Cs4 O2 54.3(7) 3_556 3_556 ?
O2 Cs4 O2 179.6(11) 4_656 3_556 ?
Cs3 Cs4 Cs6 3.5(9) 2_655 2_655 ?
Cs3 Cs4 Cs6 134(2) . 2_655 ?
Cs5 Cs4 Cs6 112.7(8) . 2_655 ?
Cs2 Cs4 Cs6 16.9(7) 2_655 2_655 ?
Cs2 Cs4 Cs6 127.9(15) . 2_655 ?
Cs1 Cs4 Cs6 129.3(13) . 2_655 ?
Cs1 Cs4 Cs6 15.0(7) 2_655 2_655 ?
Cs5 Cs4 Cs6 112.7(8) 7 2_655 ?
Cs6 Cs4 Cs6 27.4(11) 4_656 2_655 ?
Cs6 Cs4 Cs6 128.8(12) 3_556 2_655 ?
O2 Cs4 Cs6 81.7(7) 4_656 2_655 ?
O2 Cs4 Cs6 98.1(7) 3_556 2_655 ?
Cs3 Cs4 Cs6 134(2) 2_655 . ?
Cs3 Cs4 Cs6 3.5(9) . . ?
Cs5 Cs4 Cs6 112.7(8) . . ?
Cs2 Cs4 Cs6 127.9(15) 2_655 . ?
Cs2 Cs4 Cs6 16.9(7) . . ?
Cs1 Cs4 Cs6 15.0(7) . . ?
Cs1 Cs4 Cs6 129.3(13) 2_655 . ?
Cs5 Cs4 Cs6 112.7(8) 7 . ?
Cs6 Cs4 Cs6 128.8(12) 4_656 . ?
Cs6 Cs4 Cs6 27.4(11) 3_556 . ?
O2 Cs4 Cs6 98.1(7) 4_656 . ?
O2 Cs4 Cs6 81.7(7) 3_556 . ?
Cs6 Cs4 Cs6 134.7(16) 2_655 . ?
Cs3 Cs4 O2 93.5(16) 2_655 . ?
Cs3 Cs4 O2 53.7(13) . . ?
Cs5 Cs4 O2 133.3(4) . . ?
Cs2 Cs4 O2 82.0(9) 2_655 . ?
Cs2 Cs4 O2 61.9(7) . . ?
Cs1 Cs4 O2 61.0(5) . . ?
Cs1 Cs4 O2 83.9(7) 2_655 . ?
Cs5 Cs4 O2 133.3(4) 7 . ?
Cs6 Cs4 O2 79.1(8) 4_656 . ?
Cs6 Cs4 O2 74.0(8) 3_556 . ?
O2 Cs4 O2 57.0(2) 4_656 . ?
O2 Cs4 O2 122.7(7) 3_556 . ?
Cs6 Cs4 O2 95.8(9) 2_655 . ?
Cs6 Cs4 O2 51.0(7) . . ?
Cs3 Cs4 O2 53.7(13) 2_655 2_655 ?
Cs3 Cs4 O2 93.5(16) . 2_655 ?
Cs5 Cs4 O2 133.3(4) . 2_655 ?
Cs2 Cs4 O2 61.9(7) 2_655 2_655 ?
Cs2 Cs4 O2 82.0(9) . 2_655 ?
Cs1 Cs4 O2 83.9(7) . 2_655 ?
Cs1 Cs4 O2 61.0(5) 2_655 2_655 ?
Cs5 Cs4 O2 133.3(4) 7 2_655 ?
Cs6 Cs4 O2 74.0(8) 4_656 2_655 ?
Cs6 Cs4 O2 79.1(8) 3_556 2_655 ?
O2 Cs4 O2 122.7(7) 4_656 2_655 ?
O2 Cs4 O2 57.0(2) 3_556 2_655 ?
Cs6 Cs4 O2 51.0(7) 2_655 2_655 ?
Cs6 Cs4 O2 95.8(9) . 2_655 ?
O2 Cs4 O2 93.5(8) . 2_655 ?
Cs3 Cs4 O1 57.2(12) 2_655 4_646 ?
Cs3 Cs4 O1 149.7(7) . 4_646 ?
Cs5 Cs4 O1 65.4(4) . 4_646 ?
Cs2 Cs4 O1 68.6(6) 2_655 4_646 ?
Cs2 Cs4 O1 137.4(4) . 4_646 ?
Cs1 Cs4 O1 139.05(17) . 4_646 ?
Cs1 Cs4 O1 66.7(2) 2_655 4_646 ?
Cs5 Cs4 O1 65.4(4) 7 4_646 ?
Cs6 Cs4 O1 72.3(6) 4_656 4_646 ?
Cs6 Cs4 O1 125.9(7) 3_556 4_646 ?
O2 Cs4 O1 108.6(3) 4_656 4_646 ?
O2 Cs4 O1 71.6(2) 3_556 4_646 ?
Cs6 Cs4 O1 55.2(7) 2_655 4_646 ?
Cs6 Cs4 O1 153.2(6) . 4_646 ?
O2 Cs4 O1 150.6(5) . 4_646 ?
O2 Cs4 O1 72.54(13) 2_655 4_646 ?
Cs3 Cs4 O1 149.7(7) 2_655 3_566 ?
Cs3 Cs4 O1 57.2(12) . 3_566 ?
Cs5 Cs4 O1 65.4(4) . 3_566 ?
Cs2 Cs4 O1 137.4(4) 2_655 3_566 ?
Cs2 Cs4 O1 68.6(6) . 3_566 ?
Cs1 Cs4 O1 66.7(2) . 3_566 ?
Cs1 Cs4 O1 139.05(17) 2_655 3_566 ?
Cs5 Cs4 O1 65.4(4) 7 3_566 ?
Cs6 Cs4 O1 125.9(7) 4_656 3_566 ?
Cs6 Cs4 O1 72.3(6) 3_556 3_566 ?
O2 Cs4 O1 71.6(2) 4_656 3_566 ?
O2 Cs4 O1 108.6(3) 3_556 3_566 ?
Cs6 Cs4 O1 153.2(6) 2_655 3_566 ?
Cs6 Cs4 O1 55.2(7) . 3_566 ?
O2 Cs4 O1 72.54(13) . 3_566 ?
O2 Cs4 O1 150.6(5) 2_655 3_566 ?
O1 Cs4 O1 130.7(9) 4_646 3_566 ?
Cs3 Cs4 Co1 93.3(9) 2_655 . ?
Cs3 Cs4 Co1 72.9(9) . . ?
Cs5 Cs4 Co1 107.7(4) . . ?
Cs2 Cs4 Co1 79.8(6) 2_655 . ?
Cs2 Cs4 Co1 84.7(6) . . ?
Cs1 Cs4 Co1 83.2(4) . . ?
Cs1 Cs4 Co1 81.7(4) 2_655 . ?
Cs5 Cs4 Co1 107.7(4) 7 . ?
Cs6 Cs4 Co1 71.4(7) 4_656 . ?
Cs6 Cs4 Co1 96.5(7) 3_556 . ?
O2 Cs4 Co1 29.52(11) 4_656 . ?
O2 Cs4 Co1 150.2(6) 3_556 . ?
Cs6 Cs4 Co1 96.6(8) 2_655 . ?
Cs6 Cs4 Co1 69.5(7) . . ?
O2 Cs4 Co1 29.61(10) . . ?
O2 Cs4 Co1 116.9(8) 2_655 . ?
O1 Cs4 Co1 137.28(15) 4_646 . ?
O1 Cs4 Co1 61.22(7) 3_566 . ?
Cs5 Cs5 Cs4 180.0 7 . ?
Cs5 Cs5 Cs3 156.6(4) 7 2_655 ?
Cs4 Cs5 Cs3 23.4(4) . 2_655 ?
Cs5 Cs5 Cs3 156.6(4) 7 . ?
Cs4 Cs5 Cs3 23.4(4) . . ?
Cs3 Cs5 Cs3 46.9(8) 2_655 . ?
Cs5 Cs5 Cs4 0.000(2) 7 7 ?
Cs4 Cs5 Cs4 180.0 . 7 ?
Cs3 Cs5 Cs4 156.6(4) 2_655 7 ?
Cs3 Cs5 Cs4 156.6(4) . 7 ?
Cs5 Cs5 Cs2 146.7(6) 7 2_655 ?
Cs4 Cs5 Cs2 33.3(6) . 2_655 ?
Cs3 Cs5 Cs2 12.0(5) 2_655 2_655 ?
Cs3 Cs5 Cs2 56.3(8) . 2_655 ?
Cs4 Cs5 Cs2 146.7(6) 7 2_655 ?
Cs5 Cs5 Cs2 146.7(6) 7 . ?
Cs4 Cs5 Cs2 33.3(6) . . ?
Cs3 Cs5 Cs2 56.3(8) 2_655 . ?
Cs3 Cs5 Cs2 12.0(5) . . ?
Cs4 Cs5 Cs2 146.7(6) 7 . ?
Cs2 Cs5 Cs2 66.6(11) 2_655 . ?
Cs5 Cs5 Cs3 15.2(3) 7 8_545 ?
Cs4 Cs5 Cs3 164.8(3) . 8_545 ?
Cs3 Cs5 Cs3 152.3(5) 2_655 8_545 ?
Cs3 Cs5 Cs3 152.3(5) . 8_545 ?
Cs4 Cs5 Cs3 15.2(3) 7 8_545 ?
Cs2 Cs5 Cs3 147.4(6) 2_655 8_545 ?
Cs2 Cs5 Cs3 140.4(5) . 8_545 ?
Cs5 Cs5 Cs3 15.2(3) 7 7 ?
Cs4 Cs5 Cs3 164.8(3) . 7 ?
Cs3 Cs5 Cs3 152.3(5) 2_655 7 ?
Cs3 Cs5 Cs3 152.3(5) . 7 ?
Cs4 Cs5 Cs3 15.2(3) 7 7 ?
Cs2 Cs5 Cs3 140.4(5) 2_655 7 ?
Cs2 Cs5 Cs3 147.4(6) . 7 ?
Cs3 Cs5 Cs3 30.3(6) 8_545 7 ?
Cs5 Cs5 Cs1 140.2(2) 7 . ?
Cs4 Cs5 Cs1 39.8(2) . . ?
Cs3 Cs5 Cs1 62.9(6) 2_655 . ?
Cs3 Cs5 Cs1 17.5(4) . . ?
Cs4 Cs5 Cs1 140.2(2) 7 . ?
Cs2 Cs5 Cs1 73.1(7) 2_655 . ?
Cs2 Cs5 Cs1 6.6(5) . . ?
Cs3 Cs5 Cs1 134.9(2) 8_545 . ?
Cs3 Cs5 Cs1 141.0(3) 7 . ?
Cs5 Cs5 Cs1 140.2(2) 7 2_655 ?
Cs4 Cs5 Cs1 39.8(2) . 2_655 ?
Cs3 Cs5 Cs1 17.5(4) 2_655 2_655 ?
Cs3 Cs5 Cs1 62.9(6) . 2_655 ?
Cs4 Cs5 Cs1 140.2(2) 7 2_655 ?
Cs2 Cs5 Cs1 6.6(5) 2_655 2_655 ?
Cs2 Cs5 Cs1 73.1(7) . 2_655 ?
Cs3 Cs5 Cs1 141.0(3) 8_545 2_655 ?
Cs3 Cs5 Cs1 134.9(2) 7 2_655 ?
Cs1 Cs5 Cs1 79.6(5) . 2_655 ?
Cs5 Cs5 O1 90.0(3) 7 4_646 ?
Cs4 Cs5 O1 90.0(3) . 4_646 ?
Cs3 Cs5 O1 70.5(3) 2_655 4_646 ?
Cs3 Cs5 O1 109.5(5) . 4_646 ?
Cs4 Cs5 O1 90.0(3) 7 4_646 ?
Cs2 Cs5 O1 68.2(5) 2_655 4_646 ?
Cs2 Cs5 O1 111.8(6) . 4_646 ?
Cs3 Cs5 O1 81.8(4) 8_545 4_646 ?
Cs3 Cs5 O1 98.2(4) 7 4_646 ?
Cs1 Cs5 O1 116.7(4) . 4_646 ?
Cs1 Cs5 O1 63.3(2) 2_655 4_646 ?
Cs5 Cs5 O1 90.0(3) 7 3_566 ?
Cs4 Cs5 O1 90.0(3) . 3_566 ?
Cs3 Cs5 O1 109.5(5) 2_655 3_566 ?
Cs3 Cs5 O1 70.5(3) . 3_566 ?
Cs4 Cs5 O1 90.0(3) 7 3_566 ?
Cs2 Cs5 O1 111.8(6) 2_655 3_566 ?
Cs2 Cs5 O1 68.2(5) . 3_566 ?
Cs3 Cs5 O1 98.2(4) 8_545 3_566 ?
Cs3 Cs5 O1 81.8(4) 7 3_566 ?
Cs1 Cs5 O1 63.3(2) . 3_566 ?
Cs1 Cs5 O1 116.7(4) 2_655 3_566 ?
O1 Cs5 O1 180.0(7) 4_646 3_566 ?
Cs5 Cs5 O1 71.4(3) 7 5_444 ?
Cs4 Cs5 O1 108.6(3) . 5_444 ?
Cs3 Cs5 O1 119.9(5) 2_655 5_444 ?
Cs3 Cs5 O1 95.0(4) . 5_444 ?
Cs4 Cs5 O1 71.4(3) 7 5_444 ?
Cs2 Cs5 O1 130.5(4) 2_655 5_444 ?
Cs2 Cs5 O1 83.3(4) . 5_444 ?
Cs3 Cs5 O1 59.0(3) 8_545 5_444 ?
Cs3 Cs5 O1 84.3(4) 7 5_444 ?
Cs1 Cs5 O1 79.20(16) . 5_444 ?
Cs1 Cs5 O1 132.6(3) 2_655 5_444 ?
O1 Cs5 O1 90.00(11) 4_646 5_444 ?
O1 Cs5 O1 90.00(11) 3_566 5_444 ?
Cs5 Cs5 O1 71.4(3) 7 6_654 ?
Cs4 Cs5 O1 108.6(3) . 6_654 ?
Cs3 Cs5 O1 95.0(4) 2_655 6_654 ?
Cs3 Cs5 O1 119.9(5) . 6_654 ?
Cs4 Cs5 O1 71.4(3) 7 6_654 ?
Cs2 Cs5 O1 83.3(4) 2_655 6_654 ?
Cs2 Cs5 O1 130.5(4) . 6_654 ?
Cs3 Cs5 O1 84.3(4) 8_545 6_654 ?
Cs3 Cs5 O1 59.0(3) 7 6_654 ?
Cs1 Cs5 O1 132.6(3) . 6_654 ?
Cs1 Cs5 O1 79.20(16) 2_655 6_654 ?
O1 Cs5 O1 90.00(11) 4_646 6_654 ?
O1 Cs5 O1 90.00(11) 3_566 6_654 ?
O1 Cs5 O1 142.8(5) 5_444 6_654 ?
Cs5 Cs5 O2 115.7(3) 7 4_656 ?
Cs4 Cs5 O2 64.3(3) . 4_656 ?
Cs3 Cs5 O2 61.6(3) 2_655 4_656 ?
Cs3 Cs5 O2 71.4(5) . 4_656 ?
Cs4 Cs5 O2 115.7(3) 7 4_656 ?
Cs2 Cs5 O2 54.1(3) 2_655 4_656 ?
Cs2 Cs5 O2 82.1(5) . 4_656 ?
Cs3 Cs5 O2 130.4(4) 8_545 4_656 ?
Cs3 Cs5 O2 100.8(3) 7 4_656 ?
Cs1 Cs5 O2 84.9(3) . 4_656 ?
Cs1 Cs5 O2 54.8(2) 2_655 4_656 ?
O1 Cs5 O2 108.3(2) 4_646 4_656 ?
O1 Cs5 O2 71.69(14) 3_566 4_656 ?
O1 Cs5 O2 159.9(2) 5_444 4_656 ?
O1 Cs5 O2 48.47(9) 6_654 4_656 ?
Cs5 Cs5 O2 115.7(3) 7 3_556 ?
Cs4 Cs5 O2 64.3(3) . 3_556 ?
Cs3 Cs5 O2 71.4(5) 2_655 3_556 ?
Cs3 Cs5 O2 61.6(3) . 3_556 ?
Cs4 Cs5 O2 115.7(3) 7 3_556 ?
Cs2 Cs5 O2 82.1(5) 2_655 3_556 ?
Cs2 Cs5 O2 54.1(3) . 3_556 ?
Cs3 Cs5 O2 100.8(3) 8_545 3_556 ?
Cs3 Cs5 O2 130.4(4) 7 3_556 ?
Cs1 Cs5 O2 54.8(2) . 3_556 ?
Cs1 Cs5 O2 84.9(3) 2_655 3_556 ?
O1 Cs5 O2 71.69(14) 4_646 3_556 ?
O1 Cs5 O2 108.3(2) 3_566 3_556 ?
O1 Cs5 O2 48.47(9) 5_444 3_556 ?
O1 Cs5 O2 159.9(2) 6_654 3_556 ?
O2 Cs5 O2 128.7(5) 4_656 3_556 ?
Cs5 Cs5 O3 86.1(3) 7 5_444 ?
Cs4 Cs5 O3 93.9(3) . 5_444 ?
Cs3 Cs5 O3 116.9(6) 2_655 5_444 ?
Cs3 Cs5 O3 71.0(4) . 5_444 ?
Cs4 Cs5 O3 86.1(3) 7 5_444 ?
Cs2 Cs5 O3 127.2(7) 2_655 5_444 ?
Cs2 Cs5 O3 60.7(6) . 5_444 ?
Cs3 Cs5 O3 83.2(3) 8_545 5_444 ?
Cs3 Cs5 O3 89.2(3) 7 5_444 ?
Cs1 Cs5 O3 54.15(19) . 5_444 ?
Cs1 Cs5 O3 133.7(5) 2_655 5_444 ?
O1 Cs5 O3 135.27(10) 4_646 5_444 ?
O1 Cs5 O3 44.73(8) 3_566 5_444 ?
O1 Cs5 O3 46.70(10) 5_444 5_444 ?
O1 Cs5 O3 129.9(2) 6_654 5_444 ?
O2 Cs5 O3 113.48(17) 4_656 5_444 ?
O2 Cs5 O3 70.19(11) 3_556 5_444 ?
Cs5 Cs5 O3 86.1(3) 7 5_544 ?
Cs4 Cs5 O3 93.9(3) . 5_544 ?
Cs3 Cs5 O3 71.0(4) 2_655 5_544 ?
Cs3 Cs5 O3 116.9(6) . 5_544 ?
Cs4 Cs5 O3 86.1(3) 7 5_544 ?
Cs2 Cs5 O3 60.7(6) 2_655 5_544 ?
Cs2 Cs5 O3 127.2(7) . 5_544 ?
Cs3 Cs5 O3 89.2(3) 8_545 5_544 ?
Cs3 Cs5 O3 83.2(3) 7 5_544 ?
Cs1 Cs5 O3 133.7(5) . 5_544 ?
Cs1 Cs5 O3 54.15(19) 2_655 5_544 ?
O1 Cs5 O3 44.73(8) 4_646 5_544 ?
O1 Cs5 O3 135.27(10) 3_566 5_544 ?
O1 Cs5 O3 129.9(2) 5_444 5_544 ?
O1 Cs5 O3 46.70(10) 6_654 5_544 ?
O2 Cs5 O3 70.19(11) 4_656 5_544 ?
O2 Cs5 O3 113.48(17) 3_556 5_544 ?
O3 Cs5 O3 172.1(6) 5_444 5_544 ?
Cs5 Cs5 Cs2 23.7(5) 7 8_545 ?
Cs4 Cs5 Cs2 156.3(5) . 8_545 ?
Cs3 Cs5 Cs2 143.1(5) 2_655 8_545 ?
Cs3 Cs5 Cs2 151.6(5) . 8_545 ?
Cs4 Cs5 Cs2 23.7(5) 7 8_545 ?
Cs2 Cs5 Cs2 139.9(7) 2_655 8_545 ?
Cs2 Cs5 Cs2 139.9(7) . 8_545 ?
Cs3 Cs5 Cs2 9.8(5) 8_545 8_545 ?
Cs3 Cs5 Cs2 38.6(6) 7 8_545 ?
Cs1 Cs5 Cs2 135.4(4) . 8_545 ?
Cs1 Cs5 Cs2 134.0(3) 2_655 8_545 ?
O1 Cs5 Cs2 72.7(4) 4_646 8_545 ?
O1 Cs5 Cs2 107.2(5) 3_566 8_545 ?
O1 Cs5 Cs2 56.6(4) 5_444 8_545 ?
O1 Cs5 Cs2 88.1(5) 6_654 8_545 ?
O2 Cs5 Cs2 136.0(6) 4_656 8_545 ?
O2 Cs5 Cs2 94.2(5) 3_556 8_545 ?
O3 Cs5 Cs2 87.5(3) 5_444 8_545 ?
O3 Cs5 Cs2 85.3(3) 5_544 8_545 ?
Cs1 Cs6 Cs1 170(4) 4_556 . ?
Cs1 Cs6 Cs6 52(3) 4_556 4_556 ?
Cs1 Cs6 Cs6 127(3) . 4_556 ?
Cs1 Cs6 Cs6 141(3) 4_556 3_556 ?
Cs1 Cs6 Cs6 41(3) . 3_556 ?
Cs6 Cs6 Cs6 88.8(8) 4_556 3_556 ?
Cs1 Cs6 Cs2 19.4(11) 4_556 4_556 ?
Cs1 Cs6 Cs2 160(3) . 4_556 ?
Cs6 Cs6 Cs2 71(3) 4_556 4_556 ?
Cs6 Cs6 Cs2 159(3) 3_556 4_556 ?
Cs1 Cs6 Cs2 158(3) 4_556 . ?
Cs1 Cs6 Cs2 14.1(8) . . ?
Cs6 Cs6 Cs2 137(3) 4_556 . ?
Cs6 Cs6 Cs2 55(3) 3_556 . ?
Cs2 Cs6 Cs2 147(3) 4_556 . ?
Cs1 Cs6 Cs6 96(3) 4_556 2 ?
Cs1 Cs6 Cs6 87(3) . 2 ?
Cs6 Cs6 Cs6 45.6(4) 4_556 2 ?
Cs6 Cs6 Cs6 45.6(4) 3_556 2 ?
Cs2 Cs6 Cs6 113(3) 4_556 2 ?
Cs2 Cs6 Cs6 100(3) . 2 ?
Cs1 Cs6 Cs3 24.2(17) 4_556 4_556 ?
Cs1 Cs6 Cs3 158(2) . 4_556 ?
Cs6 Cs6 Cs3 75(2) 4_556 4_556 ?
Cs6 Cs6 Cs3 159(3) 3_556 4_556 ?
Cs2 Cs6 Cs3 6.2(6) 4_556 4_556 ?
Cs2 Cs6 Cs3 146(2) . 4_556 ?
Cs6 Cs6 Cs3 114(2) 2 4_556 ?
Cs1 Cs6 Cs1 67.2(19) 4_556 2 ?
Cs1 Cs6 Cs1 114(2) . 2 ?
Cs6 Cs6 Cs1 15.2(13) 4_556 2 ?
Cs6 Cs6 Cs1 74.0(13) 3_556 2 ?
Cs2 Cs6 Cs1 85.5(15) 4_556 2 ?
Cs2 Cs6 Cs1 125.2(19) . 2 ?
Cs6 Cs6 Cs1 30.4(13) 2 2 ?
Cs3 Cs6 Cs1 88.2(12) 4_556 2 ?
Cs1 Cs6 Cs3 144(3) 4_556 . ?
Cs1 Cs6 Cs3 28.5(13) . . ?
Cs6 Cs6 Cs3 143(3) 4_556 . ?
Cs6 Cs6 Cs3 68(3) 3_556 . ?
Cs2 Cs6 Cs3 133(2) 4_556 . ?
Cs2 Cs6 Cs3 14.4(7) . . ?
Cs6 Cs6 Cs3 113(2) 2 . ?
Cs3 Cs6 Cs3 132.7(16) 4_556 . ?
Cs1 Cs6 Cs3 134.6(16) 2 . ?
Cs1 Cs6 Cs1 120(3) 4_556 3_556 ?
Cs1 Cs6 Cs1 63.6(17) . 3_556 ?
Cs6 Cs6 Cs1 69.3(13) 4_556 3_556 ?
Cs6 Cs6 Cs1 23.0(13) 3_556 3_556 ?
Cs2 Cs6 Cs1 136(2) 4_556 3_556 ?
Cs2 Cs6 Cs1 77.4(15) . 3_556 ?
Cs6 Cs6 Cs1 23.9(13) 2 3_556 ?
Cs3 Cs6 Cs1 136.0(15) 4_556 3_556 ?
Cs1 Cs6 Cs1 54.1(8) 2 3_556 ?
Cs3 Cs6 Cs1 91.1(13) . 3_556 ?
Cs1 Cs6 O2 96(2) 4_556 . ?
Cs1 Cs6 O2 85.4(17) . . ?
Cs6 Cs6 O2 147(3) 4_556 . ?
Cs6 Cs6 O2 122(3) 3_556 . ?
Cs2 Cs6 O2 76.4(15) 4_556 . ?
Cs2 Cs6 O2 75.4(13) . . ?
Cs6 Cs6 O2 154.9(16) 2 . ?
Cs3 Cs6 O2 72.7(10) 4_556 . ?
Cs1 Cs6 O2 158.5(16) 2 . ?
Cs3 Cs6 O2 66.8(9) . . ?
Cs1 Cs6 O2 137.0(16) 3_556 . ?
Cs1 Cs6 O3 90(2) 4_556 7_456 ?
Cs1 Cs6 O3 101(2) . 7_456 ?
Cs6 Cs6 O3 83(3) 4_556 7_456 ?
Cs6 Cs6 O3 83(3) 3_556 7_456 ?
Cs2 Cs6 O3 86.9(15) 4_556 7_456 ?
Cs2 Cs6 O3 110.0(17) . 7_456 ?
Cs6 Cs6 O3 69.2(7) 2 7_456 ?
Cs3 Cs6 O3 82.0(11) 4_556 7_456 ?
Cs1 Cs6 O3 78.4(10) 2 7_456 ?
Cs3 Cs6 O3 119.7(15) . 7_456 ?
Cs1 Cs6 O3 69.9(10) 3_556 7_456 ?
O2 Cs6 O3 89.0(10) . 7_456 ?
Cs1 Cs6 Cs2 63.1(19) 4_556 2 ?
Cs1 Cs6 Cs2 117(2) . 2 ?
Cs6 Cs6 Cs2 10.7(14) 4_556 2 ?
Cs6 Cs6 Cs2 78.2(15) 3_556 2 ?
Cs2 Cs6 Cs2 81.9(14) 4_556 2 ?
Cs2 Cs6 Cs2 127.3(18) . 2 ?
Cs6 Cs6 Cs2 35.7(14) 2 2 ?
Cs3 Cs6 Cs2 85.1(11) 4_556 2 ?
Cs1 Cs6 Cs2 6.0(3) 2 2 ?
Cs3 Cs6 Cs2 135.3(14) . 2 ?
Cs1 Cs6 Cs2 59.1(8) 3_556 2 ?
O2 Cs6 Cs2 157.3(15) . 2 ?
O3 Cs6 Cs2 83.0(9) 7_456 2 ?
Cs1 Cs6 Cs2 122(2) 4_556 3_556 ?
Cs1 Cs6 Cs2 62.4(17) . 3_556 ?
Cs6 Cs6 Cs2 72.8(15) 4_556 3_556 ?
Cs6 Cs6 Cs2 23.2(16) 3_556 3_556 ?
Cs2 Cs6 Cs2 136.7(19) 4_556 3_556 ?
Cs2 Cs6 Cs2 76.4(13) . 3_556 ?
Cs6 Cs6 Cs2 27.2(14) 2 3_556 ?
Cs3 Cs6 Cs2 135.9(14) 4_556 3_556 ?
Cs1 Cs6 Cs2 57.6(8) 2 3_556 ?
Cs3 Cs6 Cs2 90.5(12) . 3_556 ?
Cs1 Cs6 Cs2 5.4(4) 3_556 3_556 ?
O2 Cs6 Cs2 132.1(14) . 3_556 ?
O3 Cs6 Cs2 65.6(8) 7_456 3_556 ?
Cs2 Cs6 Cs2 62.9(8) 2 3_556 ?
Cs1 Cs6 Cs4 32.4(18) 4_556 3_566 ?
Cs1 Cs6 Cs4 149(2) . 3_566 ?
Cs6 Cs6 Cs4 83(2) 4_556 3_566 ?
Cs6 Cs6 Cs4 165(3) 3_556 3_566 ?
Cs2 Cs6 Cs4 13.1(9) 4_556 3_566 ?
Cs2 Cs6 Cs4 137.4(17) . 3_566 ?
Cs6 Cs6 Cs4 122(2) 2 3_566 ?
Cs3 Cs6 Cs4 8.7(3) 4_556 3_566 ?
Cs1 Cs6 Cs4 96.8(12) 2 3_566 ?
Cs3 Cs6 Cs4 125.0(14) . 3_566 ?
Cs1 Cs6 Cs4 142.7(14) 3_556 3_566 ?
O2 Cs6 Cs4 64.1(8) . 3_566 ?
O3 Cs6 Cs4 82.8(10) 7_456 3_566 ?
Cs2 Cs6 Cs4 93.7(11) 2 3_566 ?
Cs2 Cs6 Cs4 141.8(13) 3_556 3_566 ?
Cs1 Cs6 O3 95(2) 4_556 5_444 ?
Cs1 Cs6 O3 76.7(17) . 5_444 ?
Cs6 Cs6 O3 68(2) 4_556 5_444 ?
Cs6 Cs6 O3 68(2) 3_556 5_444 ?
Cs2 Cs6 O3 109.1(17) 4_556 5_444 ?
Cs2 Cs6 O3 76.9(12) . 5_444 ?
Cs6 Cs6 O3 70.6(6) 2 5_444 ?
Cs3 Cs6 O3 115.2(14) 4_556 5_444 ?
Cs1 Cs6 O3 66.8(9) 2 5_444 ?
Cs3 Cs6 O3 76.4(9) . 5_444 ?
Cs1 Cs6 O3 73.5(9) 3_556 5_444 ?
O2 Cs6 O3 130.0(12) . 5_444 ?
O3 Cs6 O3 139.8(12) 7_456 5_444 ?
Cs2 Cs6 O3 64.0(7) 2 5_444 ?
Cs2 Cs6 O3 78.5(8) 3_556 5_444 ?
Cs4 Cs6 O3 119.8(13) 3_566 5_444 ?
Cs1 Cs6 O1 80(2) 4_556 3_566 ?
Cs1 Cs6 O1 90.3(19) . 3_566 ?
Cs6 Cs6 O1 95(3) 4_556 3_566 ?
Cs6 Cs6 O1 109(3) 3_556 3_566 ?
Cs2 Cs6 O1 80.6(15) 4_556 3_566 ?
Cs2 Cs6 O1 79.8(13) . 3_566 ?
Cs6 Cs6 O1 118.2(8) 2 3_566 ?
Cs3 Cs6 O1 85.4(11) 4_556 3_566 ?
Cs1 Cs6 O1 103.0(13) 2 3_566 ?
Cs3 Cs6 O1 68.4(9) . 3_566 ?
Cs1 Cs6 O1 121.3(13) 3_556 3_566 ?
O2 Cs6 O1 85.6(9) . 3_566 ?
O3 Cs6 O1 167.3(14) 7_456 3_566 ?
Cs2 Cs6 O1 97.6(11) 2 3_566 ?
Cs2 Cs6 O1 125.9(12) 3_556 3_566 ?
Cs4 Cs6 O1 84.5(11) 3_566 3_566 ?
O3 Cs6 O1 48.9(5) 5_444 3_566 ?
Cs1 Cs6 Cs4 143(3) 4_556 . ?
Cs1 Cs6 Cs4 29.7(14) . . ?
Cs6 Cs6 Cs4 144(3) 4_556 . ?
Cs6 Cs6 Cs4 69(2) 3_556 . ?
Cs2 Cs6 Cs4 131.6(19) 4_556 . ?
Cs2 Cs6 Cs4 15.6(9) . . ?
Cs6 Cs6 Cs4 114(2) 2 . ?
Cs3 Cs6 Cs4 131.4(14) 4_556 . ?
Cs1 Cs6 Cs4 135.6(14) 2 . ?
Cs3 Cs6 Cs4 1.3(3) . . ?
Cs1 Cs6 Cs4 92.4(11) 3_556 . ?
O2 Cs6 Cs4 65.8(8) . . ?
O3 Cs6 Cs4 120.3(13) 7_456 . ?
Cs2 Cs6 Cs4 136.1(13) 2 . ?
Cs2 Cs6 Cs4 91.7(10) 3_556 . ?
Cs4 Cs6 Cs4 123.7(11) 3_566 . ?
O3 Cs6 Cs4 76.8(9) 5_444 . ?
O1 Cs6 Cs4 67.7(8) 3_566 . ?
Cs1 Cs6 O1 133(3) 4_556 2_655 ?
Cs1 Cs6 O1 57.4(17) . 2_655 ?
Cs6 Cs6 O1 120(3) 4_556 2_655 ?
Cs6 Cs6 O1 61(3) 3_556 2_655 ?
Cs2 Cs6 O1 122.7(17) 4_556 2_655 ?
Cs2 Cs6 O1 64.7(12) . 2_655 ?
Cs6 Cs6 O1 82.1(15) 2 2_655 ?
Cs3 Cs6 O1 116.6(13) 4_556 2_655 ?
Cs1 Cs6 O1 107.8(12) 2 2_655 ?
Cs3 Cs6 O1 74.4(10) . 2_655 ?
Cs1 Cs6 O1 64.8(9) 3_556 2_655 ?
O2 Cs6 O1 73.6(8) . 2_655 ?
O3 Cs6 O1 45.6(5) 7_456 2_655 ?
Cs2 Cs6 O1 113.8(11) 2 2_655 ?
Cs2 Cs6 O1 59.4(7) 3_556 2_655 ?
Cs4 Cs6 O1 112.5(11) 3_566 2_655 ?
O3 Cs6 O1 127.7(11) 5_444 2_655 ?
O1 Cs6 O1 142.2(11) 3_566 2_655 ?
Cs4 Cs6 O1 75.0(9) . 2_655 ?

_refine_diff_density_max         0.460
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.147

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mus1110a
_database_code_depnum_ccdc_archive 'CCDC 1905091'
loop_
_audit_author_name
_audit_author_address
'Mark Smith'
;University of South Carolina
United States of America
;
_audit_update_record             
;
2019-03-22 deposited with the CCDC.	2020-01-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Co0.50 Cs O4 Si1.50'
_chemical_formula_sum            'Co0.50 Cs O4 Si1.50'
_chemical_formula_weight         268.51

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           8
_space_group_name_H-M_alt        'I m'
_space_group_name_Hall           'I -2y'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   8.9926(4)
_cell_length_b                   5.4599(2)
_cell_length_c                   9.3958(6)
_cell_angle_alpha                90
_cell_angle_beta                 91.5928(18)
_cell_angle_gamma                90
_cell_volume                     461.14(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    301(2)
_cell_measurement_reflns_used    4385
_cell_measurement_theta_min      3.093
_cell_measurement_theta_max      28.252

_exptl_crystal_description       plate
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.868
_exptl_crystal_F_000             486
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    10.045
_shelx_estimated_absorpt_T_min   0.584
_shelx_estimated_absorpt_T_max   0.824
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1934
_exptl_absorpt_correction_T_max  0.2627
_exptl_absorpt_process_details   'SADABS Version 2016/2 (Bruker, 2016)'
_diffrn_ambient_temperature      301(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean 10.4
_diffrn_reflns_number            7199
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.093
_diffrn_reflns_theta_max         28.294
_diffrn_reflns_theta_full        28.294
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             1254
_reflns_number_gt                1141
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.990
_reflns_Friedel_fraction_max     0.995
_reflns_Friedel_fraction_full    0.995

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. Completness statistics refer to single and 
 composite reflections containing twin component 1 only. 
;

_computing_data_collection       'Bruker APEX3 v2016.5-0 (Bruker, 2016)'
_computing_cell_refinement       'SAINT Version 8.38a (Bruker, 2016)'
_computing_data_reduction        'SAINT Version 8.38a (Bruker, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    various
_computing_publication_material  various
_refine_special_details          
; 
 Refined as a 2-component inversion twin. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0102P)²+2.9428P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.50(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         1254
_refine_ls_number_parameters     85
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0209
_refine_ls_wR_factor_ref         0.0457
_refine_ls_wR_factor_gt          0.0428
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_restrained_S_all      1.149
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.19149(8) 0.000000 0.50822(8) 0.0292(4) Uani 1 2 d S T P . .
Cs2 Cs 0.71441(7) 0.000000 0.39730(7) 0.0271(4) Uani 1 2 d S T P . .
Co1 Co 0.3833(4) 0.000000 0.1169(5) 0.0232(13) Uani 0.5 2 d S T P . .
Si1A Si 0.3833(4) 0.000000 0.1169(5) 0.0232(13) Uani 0.5 2 d S T P . .
Co2 Co 0.0197(5) 0.500000 0.2854(5) 0.0190(12) Uani 0.5 2 d S T P . .
Si2A Si 0.0197(5) 0.500000 0.2854(5) 0.0190(12) Uani 0.5 2 d S T P . .
Si1 Si 0.0131(7) 0.000000 0.1112(8) 0.0165(16) Uani 1 2 d S T P . .
Si2 Si 0.3877(8) 0.500000 0.2958(7) 0.0167(16) Uani 1 2 d S T P . .
O1 O -0.0415(17) 0.243(3) 0.1831(14) 0.044(4) Uani 1 1 d . . . . .
O2 O 0.4566(17) 0.263(3) 0.2149(14) 0.042(4) Uani 1 1 d . . . . .
O3 O 0.1779(9) 0.000000 0.0670(12) 0.033(2) Uani 1 2 d S T P . .
O4 O -0.0989(10) 0.000000 -0.0349(9) 0.047(3) Uani 1 2 d S T P . .
O5 O -0.0290(18) 0.456(4) 0.4239(10) 0.038(6) Uani 0.5 1 d . . P . .
O6 O 0.2059(9) 0.500000 0.2546(11) 0.0262(19) Uani 1 2 d S T P . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 O2 3.182(16) 3_445 ?
Cs1 O2 3.182(16) 4_455 ?
Cs1 O1 3.197(14) 4 ?
Cs1 O1 3.197(14) 3_545 ?
Cs1 O5 3.27(2) . ?
Cs1 O5 3.27(2) 2 ?
Cs1 O4 3.349(5) 3 ?
Cs1 O4 3.349(5) 3_545 ?
Cs1 O6 3.628(7) . ?
Cs1 O6 3.628(7) 1_545 ?
Cs1 O5 3.65(2) 1_545 ?
Cs1 O5 3.65(2) 2_565 ?
Cs2 O3 3.183(6) 3 ?
Cs2 O3 3.183(6) 3_545 ?
Cs2 O2 3.187(16) . ?
Cs2 O2 3.187(16) 2 ?
Cs2 O1 3.297(18) 1_655 ?
Cs2 O1 3.297(18) 2_655 ?
Cs2 O6 3.360(10) 3_545 ?
Cs2 O5 3.40(2) 1_655 ?
Cs2 O5 3.40(2) 2_655 ?
Cs2 Co1 3.720(3) 3 ?
Cs2 Co1 3.720(3) 3_545 ?
Cs2 O5 3.76(2) 2_665 ?
Co1 O2 1.821(16) 2 ?
Co1 O2 1.821(16) . ?
Co1 O3 1.893(10) . ?
Co1 O5 2.012(11) 3_544 ?
Co1 O5 2.012(11) 4_554 ?
Co2 O5 1.405(10) 2_565 ?
Co2 O5 1.405(10) . ?
Co2 O6 1.707(10) . ?
Co2 O1 1.781(17) . ?
Co2 O1 1.781(17) 2_565 ?
Si1 O3 1.550(10) . ?
Si1 O1 1.572(17) 2 ?
Si1 O1 1.572(17) . ?
Si1 O4 1.680(12) . ?
Si2 O4 1.592(11) 3 ?
Si2 O2 1.630(16) . ?
Si2 O2 1.630(16) 2_565 ?
Si2 O6 1.670(11) . ?
O5 O5 0.48(4) 2_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Cs1 O2 47.9(6) 3_445 4_455 ?
O2 Cs1 O1 111.5(4) 3_445 4 ?
O2 Cs1 O1 90.6(4) 4_455 4 ?
O2 Cs1 O1 90.6(4) 3_445 3_545 ?
O2 Cs1 O1 111.5(4) 4_455 3_545 ?
O1 Cs1 O1 52.1(7) 4 3_545 ?
O2 Cs1 O5 92.8(4) 3_445 . ?
O2 Cs1 O5 55.3(3) 4_455 . ?
O1 Cs1 O5 103.4(5) 4 . ?
O1 Cs1 O5 154.4(4) 3_545 . ?
O2 Cs1 O5 55.3(3) 3_445 2 ?
O2 Cs1 O5 92.8(4) 4_455 2 ?
O1 Cs1 O5 154.4(4) 4 2 ?
O1 Cs1 O5 103.4(5) 3_545 2 ?
O5 Cs1 O5 99.3(7) . 2 ?
O2 Cs1 O4 142.2(3) 3_445 3 ?
O2 Cs1 O4 97.4(4) 4_455 3 ?
O1 Cs1 O4 44.5(3) 4 3 ?
O1 Cs1 O4 90.2(4) 3_545 3 ?
O5 Cs1 O4 71.9(3) . 3 ?
O5 Cs1 O4 158.7(3) 2 3 ?
O2 Cs1 O4 97.4(3) 3_445 3_545 ?
O2 Cs1 O4 142.2(3) 4_455 3_545 ?
O1 Cs1 O4 90.2(4) 4 3_545 ?
O1 Cs1 O4 44.5(3) 3_545 3_545 ?
O5 Cs1 O4 158.7(3) . 3_545 ?
O5 Cs1 O4 71.9(3) 2 3_545 ?
O4 Cs1 O4 109.2(2) 3 3_545 ?
O2 Cs1 O6 137.9(3) 3_445 . ?
O2 Cs1 O6 97.6(3) 4_455 . ?
O1 Cs1 O6 88.1(3) 4 . ?
O1 Cs1 O6 128.9(4) 3_545 . ?
O5 Cs1 O6 45.5(2) . . ?
O5 Cs1 O6 116.5(3) 2 . ?
O4 Cs1 O6 43.7(2) 3 . ?
O4 Cs1 O6 120.23(17) 3_545 . ?
O2 Cs1 O6 97.6(3) 3_445 1_545 ?
O2 Cs1 O6 137.9(3) 4_455 1_545 ?
O1 Cs1 O6 128.9(4) 4 1_545 ?
O1 Cs1 O6 88.1(3) 3_545 1_545 ?
O5 Cs1 O6 116.5(3) . 1_545 ?
O5 Cs1 O6 45.5(2) 2 1_545 ?
O4 Cs1 O6 120.23(17) 3 1_545 ?
O4 Cs1 O6 43.7(2) 3_545 1_545 ?
O6 Cs1 O6 97.6(2) . 1_545 ?
O2 Cs1 O5 55.7(3) 3_445 1_545 ?
O2 Cs1 O5 95.6(4) 4_455 1_545 ?
O1 Cs1 O5 150.0(4) 4 1_545 ?
O1 Cs1 O5 98.6(5) 3_545 1_545 ?
O5 Cs1 O5 104.2(4) . 1_545 ?
O5 Cs1 O5 4.9(5) 2 1_545 ?
O4 Cs1 O5 160.4(2) 3 1_545 ?
O4 Cs1 O5 67.3(3) 3_545 1_545 ?
O6 Cs1 O5 119.9(2) . 1_545 ?
O6 Cs1 O5 43.4(2) 1_545 1_545 ?
O2 Cs1 O5 95.6(4) 3_445 2_565 ?
O2 Cs1 O5 55.7(3) 4_455 2_565 ?
O1 Cs1 O5 98.6(5) 4 2_565 ?
O1 Cs1 O5 150.0(4) 3_545 2_565 ?
O5 Cs1 O5 4.9(5) . 2_565 ?
O5 Cs1 O5 104.2(4) 2 2_565 ?
O4 Cs1 O5 67.3(3) 3 2_565 ?
O4 Cs1 O5 160.4(2) 3_545 2_565 ?
O6 Cs1 O5 43.4(2) . 2_565 ?
O6 Cs1 O5 119.9(2) 1_545 2_565 ?
O5 Cs1 O5 109.1(6) 1_545 2_565 ?
O3 Cs2 O3 118.1(3) 3 3_545 ?
O3 Cs2 O2 78.4(3) 3 . ?
O3 Cs2 O2 124.9(3) 3_545 . ?
O3 Cs2 O2 124.9(3) 3 2 ?
O3 Cs2 O2 78.4(3) 3_545 2 ?
O2 Cs2 O2 53.6(6) . 2 ?
O3 Cs2 O1 92.3(3) 3 1_655 ?
O3 Cs2 O1 136.9(3) 3_545 1_655 ?
O2 Cs2 O1 88.7(4) . 1_655 ?
O2 Cs2 O1 109.9(4) 2 1_655 ?
O3 Cs2 O1 136.9(3) 3 2_655 ?
O3 Cs2 O1 92.3(3) 3_545 2_655 ?
O2 Cs2 O1 109.9(4) . 2_655 ?
O2 Cs2 O1 88.7(4) 2 2_655 ?
O1 Cs2 O1 47.4(6) 1_655 2_655 ?
O3 Cs2 O6 59.61(19) 3 3_545 ?
O3 Cs2 O6 59.61(19) 3_545 3_545 ?
O2 Cs2 O6 120.0(3) . 3_545 ?
O2 Cs2 O6 120.0(3) 2 3_545 ?
O1 Cs2 O6 130.1(3) 1_655 3_545 ?
O1 Cs2 O6 130.1(3) 2_655 3_545 ?
O3 Cs2 O5 54.1(3) 3 1_655 ?
O3 Cs2 O5 132.1(3) 3_545 1_655 ?
O2 Cs2 O5 101.0(4) . 1_655 ?
O2 Cs2 O5 148.4(3) 2 1_655 ?
O1 Cs2 O5 44.6(3) 1_655 1_655 ?
O1 Cs2 O5 83.0(4) 2_655 1_655 ?
O6 Cs2 O5 87.77(18) 3_545 1_655 ?
O3 Cs2 O5 132.1(3) 3 2_655 ?
O3 Cs2 O5 54.1(3) 3_545 2_655 ?
O2 Cs2 O5 148.4(3) . 2_655 ?
O2 Cs2 O5 101.0(4) 2 2_655 ?
O1 Cs2 O5 83.0(4) 1_655 2_655 ?
O1 Cs2 O5 44.6(3) 2_655 2_655 ?
O6 Cs2 O5 87.77(18) 3_545 2_655 ?
O5 Cs2 O5 94.2(7) 1_655 2_655 ?
O3 Cs2 Co1 30.59(17) 3 3 ?
O3 Cs2 Co1 113.4(2) 3_545 3 ?
O2 Cs2 Co1 104.3(3) . 3 ?
O2 Cs2 Co1 155.3(3) 2 3 ?
O1 Cs2 Co1 77.0(3) 1_655 3 ?
O1 Cs2 Co1 111.4(3) 2_655 3 ?
O6 Cs2 Co1 57.75(10) 3_545 3 ?
O5 Cs2 Co1 32.43(19) 1_655 3 ?
O5 Cs2 Co1 103.4(3) 2_655 3 ?
O3 Cs2 Co1 113.4(2) 3 3_545 ?
O3 Cs2 Co1 30.59(17) 3_545 3_545 ?
O2 Cs2 Co1 155.3(3) . 3_545 ?
O2 Cs2 Co1 104.3(3) 2 3_545 ?
O1 Cs2 Co1 111.4(3) 1_655 3_545 ?
O1 Cs2 Co1 77.0(3) 2_655 3_545 ?
O6 Cs2 Co1 57.75(10) 3_545 3_545 ?
O5 Cs2 Co1 103.4(3) 1_655 3_545 ?
O5 Cs2 Co1 32.43(19) 2_655 3_545 ?
Co1 Cs2 Co1 94.41(11) 3 3_545 ?
O3 Cs2 O5 50.4(3) 3 2_665 ?
O3 Cs2 O5 135.6(3) 3_545 2_665 ?
O2 Cs2 O5 96.6(4) . 2_665 ?
O2 Cs2 O5 145.8(3) 2 2_665 ?
O1 Cs2 O5 46.1(3) 1_655 2_665 ?
O1 Cs2 O5 86.6(4) 2_655 2_665 ?
O6 Cs2 O5 87.98(17) 3_545 2_665 ?
O5 Cs2 O5 5.0(5) 1_655 2_665 ?
O5 Cs2 O5 99.2(4) 2_655 2_665 ?
Co1 Cs2 O5 31.18(15) 3 2_665 ?
Co1 Cs2 O5 107.6(3) 3_545 2_665 ?
O2 Co1 O2 104.3(11) 2 . ?
O2 Co1 O3 117.5(5) 2 . ?
O2 Co1 O3 117.5(5) . . ?
O2 Co1 O5 102.5(8) 2 3_544 ?
O2 Co1 O5 113.8(8) . 3_544 ?
O3 Co1 O5 100.4(6) . 3_544 ?
O2 Co1 O5 113.8(8) 2 4_554 ?
O2 Co1 O5 102.5(8) . 4_554 ?
O3 Co1 O5 100.4(6) . 4_554 ?
O5 Co1 O5 13.6(12) 3_544 4_554 ?
O2 Co1 Cs2 80.6(5) 2 3_444 ?
O2 Co1 Cs2 175.0(5) . 3_444 ?
O3 Co1 Cs2 58.82(19) . 3_444 ?
O5 Co1 Cs2 65.0(6) 3_544 3_444 ?
O5 Co1 Cs2 75.6(6) 4_554 3_444 ?
O2 Co1 Cs2 175.0(5) 2 3_454 ?
O2 Co1 Cs2 80.6(5) . 3_454 ?
O3 Co1 Cs2 58.82(19) . 3_454 ?
O5 Co1 Cs2 75.6(6) 3_544 3_454 ?
O5 Co1 Cs2 65.0(6) 4_554 3_454 ?
Cs2 Co1 Cs2 94.41(11) 3_444 3_454 ?
O2 Co1 Cs2 53.3(5) 2 . ?
O2 Co1 Cs2 53.3(5) . . ?
O3 Co1 Cs2 152.1(4) . . ?
O5 Co1 Cs2 107.2(5) 3_544 . ?
O5 Co1 Cs2 107.2(5) 4_554 . ?
Cs2 Co1 Cs2 131.55(5) 3_444 . ?
Cs2 Co1 Cs2 131.55(5) 3_454 . ?
O2 Co1 Cs1 114.8(5) 2 3_554 ?
O2 Co1 Cs1 49.7(5) . 3_554 ?
O3 Co1 Cs1 127.5(2) . 3_554 ?
O5 Co1 Cs1 64.1(6) 3_544 3_554 ?
O5 Co1 Cs1 53.4(6) 4_554 3_554 ?
Cs2 Co1 Cs1 128.89(14) 3_444 3_554 ?
Cs2 Co1 Cs1 68.68(5) 3_454 3_554 ?
Cs2 Co1 Cs1 69.90(6) . 3_554 ?
O2 Co1 Cs1 49.7(5) 2 3_544 ?
O2 Co1 Cs1 114.8(5) . 3_544 ?
O3 Co1 Cs1 127.5(2) . 3_544 ?
O5 Co1 Cs1 53.4(6) 3_544 3_544 ?
O5 Co1 Cs1 64.1(6) 4_554 3_544 ?
Cs2 Co1 Cs1 68.68(5) 3_444 3_544 ?
Cs2 Co1 Cs1 128.89(14) 3_454 3_544 ?
Cs2 Co1 Cs1 69.90(6) . 3_544 ?
Cs1 Co1 Cs1 84.99(8) 3_554 3_544 ?
O2 Co1 Cs1 72.7(5) 2 . ?
O2 Co1 Cs1 72.7(5) . . ?
O3 Co1 Cs1 77.9(4) . . ?
O5 Co1 Cs1 173.0(6) 3_544 . ?
O5 Co1 Cs1 173.0(6) 4_554 . ?
Cs2 Co1 Cs1 108.76(8) 3_444 . ?
Cs2 Co1 Cs1 108.76(8) 3_454 . ?
Cs2 Co1 Cs1 74.23(9) . . ?
Cs1 Co1 Cs1 122.31(9) 3_554 . ?
Cs1 Co1 Cs1 122.31(9) 3_544 . ?
O5 Co2 O5 19.6(18) 2_565 . ?
O5 Co2 O6 119.3(8) 2_565 . ?
O5 Co2 O6 119.3(8) . . ?
O5 Co2 O1 122.3(10) 2_565 . ?
O5 Co2 O1 105.4(11) . . ?
O6 Co2 O1 101.4(6) . . ?
O5 Co2 O1 105.4(11) 2_565 2_565 ?
O5 Co2 O1 122.3(10) . 2_565 ?
O6 Co2 O1 101.4(6) . 2_565 ?
O1 Co2 O1 104.2(10) . 2_565 ?
O5 Co2 Cs1 75.0(8) 2_565 . ?
O5 Co2 Cs1 59.5(8) . . ?
O6 Co2 Cs1 72.8(2) . . ?
O1 Co2 Cs1 81.0(5) . . ?
O1 Co2 Cs1 173.1(5) 2_565 . ?
O5 Co2 Cs1 59.5(8) 2_565 1_565 ?
O5 Co2 Cs1 75.0(8) . 1_565 ?
O6 Co2 Cs1 72.8(2) . 1_565 ?
O1 Co2 Cs1 173.1(5) . 1_565 ?
O1 Co2 Cs1 81.0(5) 2_565 1_565 ?
Cs1 Co2 Cs1 93.52(9) . 1_565 ?
O5 Co2 Cs1 111.7(7) 2_565 3_454 ?
O5 Co2 Cs1 111.7(7) . 3_454 ?
O6 Co2 Cs1 128.1(4) . 3_454 ?
O1 Co2 Cs1 54.6(5) . 3_454 ?
O1 Co2 Cs1 54.6(5) 2_565 3_454 ?
Cs1 Co2 Cs1 131.98(5) . 3_454 ?
Cs1 Co2 Cs1 131.98(5) 1_565 3_454 ?
O5 Co2 Cs2 69.0(8) 2_565 1_455 ?
O5 Co2 Cs2 53.9(8) . 1_455 ?
O6 Co2 Cs2 136.25(9) . 1_455 ?
O1 Co2 Cs2 53.4(6) . 1_455 ?
O1 Co2 Cs2 118.2(5) 2_565 1_455 ?
Cs1 Co2 Cs2 68.54(5) . 1_455 ?
Cs1 Co2 Cs2 128.36(13) 1_565 1_455 ?
Cs1 Co2 Cs2 70.39(7) 3_454 1_455 ?
O5 Co2 Cs2 53.9(8) 2_565 1_465 ?
O5 Co2 Cs2 69.0(8) . 1_465 ?
O6 Co2 Cs2 136.25(9) . 1_465 ?
O1 Co2 Cs2 118.2(5) . 1_465 ?
O1 Co2 Cs2 53.4(6) 2_565 1_465 ?
Cs1 Co2 Cs2 128.36(13) . 1_465 ?
Cs1 Co2 Cs2 68.54(5) 1_565 1_465 ?
Cs1 Co2 Cs2 70.39(7) 3_454 1_465 ?
Cs2 Co2 Cs2 85.23(9) 1_455 1_465 ?
O5 Co2 Cs2 168.0(8) 2_565 3_454 ?
O5 Co2 Cs2 168.0(8) . 3_454 ?
O6 Co2 Cs2 53.3(4) . 3_454 ?
O1 Co2 Cs2 69.7(6) . 3_454 ?
O1 Co2 Cs2 69.7(6) 2_565 3_454 ?
Cs1 Co2 Cs2 108.55(9) . 3_454 ?
Cs1 Co2 Cs2 108.55(9) 1_565 3_454 ?
Cs1 Co2 Cs2 74.82(8) 3_454 3_454 ?
Cs2 Co2 Cs2 122.97(8) 1_455 3_454 ?
Cs2 Co2 Cs2 122.97(8) 1_465 3_454 ?
O3 Si1 O1 115.3(7) . 2 ?
O3 Si1 O1 115.3(7) . . ?
O1 Si1 O1 114.9(13) 2 . ?
O3 Si1 O4 109.7(7) . . ?
O1 Si1 O4 99.4(6) 2 . ?
O1 Si1 O4 99.4(6) . . ?
O3 Si1 Cs2 151.3(6) . 1_455 ?
O1 Si1 Cs2 57.9(7) 2 1_455 ?
O1 Si1 Cs2 57.9(7) . 1_455 ?
O4 Si1 Cs2 99.0(4) . 1_455 ?
O3 Si1 Cs2 52.8(2) . 3_444 ?
O1 Si1 Cs2 77.6(7) 2 3_444 ?
O1 Si1 Cs2 166.9(7) . 3_444 ?
O4 Si1 Cs2 81.6(3) . 3_444 ?
Cs2 Si1 Cs2 135.06(7) 1_455 3_444 ?
O3 Si1 Cs2 52.8(2) . 3_454 ?
O1 Si1 Cs2 166.9(7) 2 3_454 ?
O1 Si1 Cs2 77.6(7) . 3_454 ?
O4 Si1 Cs2 81.6(3) . 3_454 ?
Cs2 Si1 Cs2 135.06(7) 1_455 3_454 ?
Cs2 Si1 Cs2 89.74(15) 3_444 3_454 ?
O3 Si1 Cs1 83.6(5) . . ?
O1 Si1 Cs1 73.9(5) 2 . ?
O1 Si1 Cs1 73.9(5) . . ?
O4 Si1 Cs1 166.7(4) . . ?
Cs2 Si1 Cs1 67.70(12) 1_455 . ?
Cs2 Si1 Cs1 107.56(11) 3_444 . ?
Cs2 Si1 Cs1 107.56(11) 3_454 . ?
O3 Si1 Cs1 127.9(3) . 3_444 ?
O1 Si1 Cs1 46.3(5) 2 3_444 ?
O1 Si1 Cs1 116.0(7) . 3_444 ?
O4 Si1 Cs1 53.16(19) . 3_444 ?
Cs2 Si1 Cs1 70.22(10) 1_455 3_444 ?
Cs2 Si1 Cs1 75.11(6) 3_444 3_444 ?
Cs2 Si1 Cs1 133.52(19) 3_454 3_444 ?
Cs1 Si1 Cs1 118.87(14) . 3_444 ?
O3 Si1 Cs1 127.9(3) . 3_454 ?
O1 Si1 Cs1 116.0(7) 2 3_454 ?
O1 Si1 Cs1 46.3(5) . 3_454 ?
O4 Si1 Cs1 53.16(19) . 3_454 ?
Cs2 Si1 Cs1 70.22(10) 1_455 3_454 ?
Cs2 Si1 Cs1 133.52(19) 3_444 3_454 ?
Cs2 Si1 Cs1 75.11(6) 3_454 3_454 ?
Cs1 Si1 Cs1 118.87(14) . 3_454 ?
Cs1 Si1 Cs1 84.14(11) 3_444 3_454 ?
O4 Si2 O2 116.5(6) 3 . ?
O4 Si2 O2 116.5(6) 3 2_565 ?
O2 Si2 O2 104.8(12) . 2_565 ?
O4 Si2 O6 106.1(6) 3 . ?
O2 Si2 O6 105.9(6) . . ?
O2 Si2 O6 105.9(6) 2_565 . ?
O4 Si2 Cs1 60.2(2) 3 . ?
O2 Si2 Cs1 82.3(6) . . ?
O2 Si2 Cs1 172.7(6) 2_565 . ?
O6 Si2 Cs1 70.1(3) . . ?
O4 Si2 Cs1 60.2(2) 3 1_565 ?
O2 Si2 Cs1 172.7(6) . 1_565 ?
O2 Si2 Cs1 82.3(6) 2_565 1_565 ?
O6 Si2 Cs1 70.1(3) . 1_565 ?
Cs1 Si2 Cs1 90.62(15) . 1_565 ?
O4 Si2 Cs1 131.1(5) 3 3_554 ?
O2 Si2 Cs1 52.7(6) . 3_554 ?
O2 Si2 Cs1 52.7(6) 2_565 3_554 ?
O6 Si2 Cs1 122.7(4) . 3_554 ?
Cs1 Si2 Cs1 134.57(8) . 3_554 ?
Cs1 Si2 Cs1 134.57(8) 1_565 3_554 ?
O4 Si2 Cs2 161.5(5) 3 3_454 ?
O2 Si2 Cs2 73.0(6) . 3_454 ?
O2 Si2 Cs2 73.0(6) 2_565 3_454 ?
O6 Si2 Cs2 55.4(4) . 3_454 ?
Cs1 Si2 Cs2 108.22(13) . 3_454 ?
Cs1 Si2 Cs2 108.22(13) 1_565 3_454 ?
Cs1 Si2 Cs2 67.34(11) 3_554 3_454 ?
O4 Si2 Cs2 74.6(3) 3 . ?
O2 Si2 Cs2 45.7(6) . . ?
O2 Si2 Cs2 110.9(6) 2_565 . ?
O6 Si2 Cs2 138.08(8) . . ?
Cs1 Si2 Cs2 75.08(6) . . ?
Cs1 Si2 Cs2 133.51(17) 1_565 . ?
Cs1 Si2 Cs2 69.50(11) 3_554 . ?
Cs2 Si2 Cs2 118.26(13) 3_454 . ?
O4 Si2 Cs2 74.6(3) 3 1_565 ?
O2 Si2 Cs2 110.9(6) . 1_565 ?
O2 Si2 Cs2 45.7(6) 2_565 1_565 ?
O6 Si2 Cs2 138.08(8) . 1_565 ?
Cs1 Si2 Cs2 133.51(17) . 1_565 ?
Cs1 Si2 Cs2 75.08(6) 1_565 1_565 ?
Cs1 Si2 Cs2 69.50(11) 3_554 1_565 ?
Cs2 Si2 Cs2 118.26(13) 3_454 1_565 ?
Cs2 Si2 Cs2 83.41(13) . 1_565 ?
Si1 O1 Co2 143.2(10) . . ?
Si1 O1 Cs1 112.9(7) . 3_454 ?
Co2 O1 Cs1 98.5(7) . 3_454 ?
Si1 O1 Cs2 98.3(9) . 1_455 ?
Co2 O1 Cs2 100.9(6) . 1_455 ?
Cs1 O1 Cs2 89.3(4) 3_454 1_455 ?
Si2 O2 Co1 136.4(10) . . ?
Si2 O2 Cs1 103.3(8) . 3_554 ?
Co1 O2 Cs1 104.4(6) . 3_554 ?
Si2 O2 Cs2 112.8(7) . . ?
Co1 O2 Cs2 99.4(7) . . ?
Cs1 O2 Cs2 91.5(4) 3_554 . ?
Si1 O3 Co1 150.1(8) . . ?
Si1 O3 Cs2 104.3(3) . 3_444 ?
Co1 O3 Cs2 90.6(2) . 3_444 ?
Si1 O3 Cs2 104.3(3) . 3_454 ?
Co1 O3 Cs2 90.6(2) . 3_454 ?
Cs2 O3 Cs2 118.1(3) 3_444 3_454 ?
Si2 O4 Si1 147.5(8) 3_444 . ?
Si2 O4 Cs1 95.4(3) 3_444 3_444 ?
Si1 O4 Cs1 103.2(3) . 3_444 ?
Si2 O4 Cs1 95.4(3) 3_444 3_454 ?
Si1 O4 Cs1 103.2(3) . 3_454 ?
Cs1 O4 Cs1 109.2(2) 3_444 3_454 ?
O5 O5 Co2 80.2(9) 2_565 . ?
O5 O5 Co1 83.2(6) 2_565 3_455 ?
Co2 O5 Co1 162.7(15) . 3_455 ?
O5 O5 Cs1 139.7(3) 2_565 . ?
Co2 O5 Cs1 98.7(9) . . ?
Co1 O5 Cs1 97.0(6) 3_455 . ?
O5 O5 Cs2 137.1(3) 2_565 1_455 ?
Co2 O5 Cs2 106.6(9) . 1_455 ?
Co1 O5 Cs2 82.6(5) 3_455 1_455 ?
Cs1 O5 Cs2 82.3(5) . 1_455 ?
O5 O5 Cs1 35.5(3) 2_565 1_565 ?
Co2 O5 Cs1 83.2(8) . 1_565 ?
Co1 O5 Cs1 86.1(6) 3_455 1_565 ?
Cs1 O5 Cs1 104.2(4) . 1_565 ?
Cs2 O5 Cs1 167.6(4) 1_455 1_565 ?
O5 O5 Cs2 37.9(3) 2_565 1_465 ?
Co2 O5 Cs2 90.6(9) . 1_465 ?
Co1 O5 Cs2 73.2(6) 3_455 1_465 ?
Cs1 O5 Cs2 169.8(3) . 1_465 ?
Cs2 O5 Cs2 99.2(4) 1_455 1_465 ?
Cs1 O5 Cs2 72.6(4) 1_565 1_465 ?
Si2 O6 Co2 156.8(7) . . ?
Si2 O6 Cs2 100.5(4) . 3_454 ?
Co2 O6 Cs2 102.7(4) . 3_454 ?
Si2 O6 Cs1 84.3(3) . . ?
Co2 O6 Cs1 80.5(3) . . ?
Cs2 O6 Cs1 131.18(12) 3_454 . ?
Si2 O6 Cs1 84.3(3) . 1_565 ?
Co2 O6 Cs1 80.5(3) . 1_565 ?
Cs2 O6 Cs1 131.18(12) 3_454 1_565 ?
Cs1 O6 Cs1 97.6(2) . 1_565 ?

_refine_diff_density_max         0.757
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.135

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mus2054a2
_database_code_depnum_ccdc_archive 'CCDC 1957758'
loop_
_audit_author_name
_audit_author_address
'Mark Smith'
;University of South Carolina
United States of America
;
_audit_update_record             
;
2019-10-06 deposited with the CCDC.	2020-01-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Co0.50 Cs0.86 O4 Rb0.14 Si1.50'
_chemical_formula_sum            'Co0.50 Cs0.86 O4 Rb0.14 Si1.50'
_chemical_formula_weight         261.73


# start Validation Reply Form
_vrf_PLAT936_mus2054a2           
;
PROBLEM: The Embedded .res File Includes a DAMP Command .       10.0 Report
RESPONSE: A DAMP instruction was necessary to achieve a stable, converged
refinement. Omitting DAMP or using a DAMP value lower than 10 resulted in
large constant shifts of some Uij parameters. DAMP was required in the
refinement because of the low crystal quality (broad and multiple diffraction
maxima) of the available ion-exchanged crystals.
;
# end Validation Reply Form

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           8
_space_group_name_H-M_alt        'I m'
_space_group_name_Hall           'I -2y'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   8.996(2)
_cell_length_b                   5.4500(10)
_cell_length_c                   9.381(2)
_cell_angle_alpha                90
_cell_angle_beta                 90.709(17)
_cell_angle_gamma                90
_cell_volume                     459.89(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    301(2)
_cell_measurement_reflns_used    3770
_cell_measurement_theta_min      3.118
_cell_measurement_theta_max      30.684

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.780
_exptl_crystal_F_000             476
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    10.460
_shelx_estimated_absorpt_T_min   0.421
_shelx_estimated_absorpt_T_max   0.528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1034
_exptl_absorpt_correction_T_max  0.1561
_exptl_absorpt_process_details   'SADABS Version 2016/2 (Bruker, 2016)'
_diffrn_ambient_temperature      301(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean 10.4
_diffrn_reflns_number            4404
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.118
_diffrn_reflns_theta_max         30.699
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             1530
_reflns_number_gt                1452
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.996
_reflns_Friedel_fraction_max     0.976
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. Completness statistics refer to single and 
 composite reflections containing twin component 1 only. 
;

_computing_data_collection       'Bruker APEX3 v2016.5-0 (Bruker, 2016)'
_computing_cell_refinement       'SAINT Version 8.38a (Bruker, 2016)'
_computing_data_reduction        'SAINT Version 8.38a (Bruker, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    various
_computing_publication_material  various
_refine_special_details          
; 
 Refined as a 4-component inversion twin. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0198P)²+4.8476P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Twinning involves inversion, so Flack parameter cannot be determined 
;
_refine_ls_abs_structure_Flack   ?
_chemical_absolute_configuration ?
_refine_ls_number_reflns         1530
_refine_ls_number_parameters     84
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0309
_refine_ls_wR_factor_ref         0.0741
_refine_ls_wR_factor_gt          0.0706
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_restrained_S_all      1.090
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.19169(14) 0.000000 0.50864(12) 0.0367(7) Uani 0.88(2) 2 d S T P . .
Rb1 Rb 0.19169(14) 0.000000 0.50864(12) 0.0367(7) Uani 0.12(2) 2 d S T P . .
Cs2 Cs 0.71356(13) 0.000000 0.39828(12) 0.0366(7) Uani 0.84(3) 2 d S T P . .
Rb2 Rb 0.71356(13) 0.000000 0.39828(12) 0.0366(7) Uani 0.16(3) 2 d S T P . .
Si1A Si 0.3834(6) 0.000000 0.1182(7) 0.0293(16) Uani 0.5 2 d S T P . .
Co1 Co 0.3834(6) 0.000000 0.1182(7) 0.0293(16) Uani 0.5 2 d S T P . .
Co2 Co 0.0175(8) 0.500000 0.2867(6) 0.0327(18) Uani 0.5 2 d S T P . .
Si2A Si 0.0175(8) 0.500000 0.2867(6) 0.0327(18) Uani 0.5 2 d S T P . .
Si1 Si 0.0135(13) 0.000000 0.1113(11) 0.026(2) Uani 1 2 d S T P . .
Si2 Si 0.3883(13) 0.500000 0.2950(10) 0.023(2) Uani 1 2 d S T P . .
O1 O -0.037(3) 0.255(5) 0.186(2) 0.062(6) Uani 1 1 d . . . . .
O2 O 0.461(2) 0.273(4) 0.216(2) 0.053(5) Uani 1 1 d . . . . .
O3 O 0.1779(17) 0.000000 0.0704(18) 0.041(3) Uani 1 2 d S T P . .
O4 O -0.097(2) 0.000000 -0.0349(18) 0.079(7) Uani 1 2 d S T P . .
O5 O -0.022(3) 0.500000 0.428(3) 0.079(7) Uani 1 2 d S T P . .
O6 O 0.2060(18) 0.500000 0.2570(15) 0.035(3) Uani 1 2 d S T P . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rb1 O2 3.12(2) 4_455 ?
Rb1 O2 3.12(2) 3_445 ?
Rb1 O1 3.22(2) 4 ?
Rb1 O1 3.22(2) 3_545 ?
Rb1 O4 3.349(11) 3 ?
Rb1 O4 3.349(11) 3_545 ?
Rb1 O5 3.415(16) 1_545 ?
Rb1 O5 3.415(16) . ?
Rb1 O6 3.609(9) . ?
Rb1 O6 3.609(9) 1_545 ?
Rb1 Co2 3.760(5) 1_545 ?
Rb1 Co2 3.760(5) . ?
Rb2 O3 3.186(9) 3 ?
Rb2 O3 3.186(9) 3_545 ?
Rb2 O2 3.19(2) . ?
Rb2 O2 3.19(2) 2 ?
Rb2 O1 3.32(3) 2_655 ?
Rb2 O1 3.32(3) 1_655 ?
Rb2 O6 3.367(14) 3_545 ?
Rb2 O5 3.624(16) 1_655 ?
Rb2 O5 3.624(16) 1_645 ?
Rb2 Si1A 3.733(5) 3 ?
Rb2 Si1A 3.733(5) 3_545 ?
Rb2 Si1 3.835(11) 1_655 ?
Co1 O2 1.88(2) 2 ?
Co1 O2 1.88(2) . ?
Co1 O3 1.897(17) . ?
Co1 O5 1.98(2) 3_544 ?
Co2 O5 1.38(2) . ?
Co2 O1 1.70(2) 2_565 ?
Co2 O1 1.70(2) . ?
Co2 O6 1.722(17) . ?
Si1 O3 1.532(18) . ?
Si1 O1 1.63(2) 2 ?
Si1 O1 1.63(2) . ?
Si1 O4 1.68(2) . ?
Si2 O2 1.59(2) . ?
Si2 O2 1.59(2) 2_565 ?
Si2 O4 1.60(2) 3 ?
Si2 O6 1.67(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Rb1 O2 46.7(9) 4_455 3_445 ?
O2 Rb1 O1 91.0(7) 4_455 4 ?
O2 Rb1 O1 110.3(6) 3_445 4 ?
O2 Rb1 O1 110.3(6) 4_455 3_545 ?
O2 Rb1 O1 91.0(7) 3_445 3_545 ?
O1 Rb1 O1 48.9(9) 4 3_545 ?
O2 Rb1 O4 97.8(5) 4_455 3 ?
O2 Rb1 O4 141.4(5) 3_445 3 ?
O1 Rb1 O4 45.6(5) 4 3 ?
O1 Rb1 O4 88.4(6) 3_545 3 ?
O2 Rb1 O4 141.4(5) 4_455 3_545 ?
O2 Rb1 O4 97.8(5) 3_445 3_545 ?
O1 Rb1 O4 88.4(6) 4 3_545 ?
O1 Rb1 O4 45.6(5) 3_545 3_545 ?
O4 Rb1 O4 108.9(5) 3 3_545 ?
O2 Rb1 O5 94.4(5) 4_455 1_545 ?
O2 Rb1 O5 56.2(5) 3_445 1_545 ?
O1 Rb1 O5 149.9(6) 4 1_545 ?
O1 Rb1 O5 101.8(6) 3_545 1_545 ?
O4 Rb1 O5 160.3(5) 3 1_545 ?
O4 Rb1 O5 69.1(4) 3_545 1_545 ?
O2 Rb1 O5 56.2(5) 4_455 . ?
O2 Rb1 O5 94.4(5) 3_445 . ?
O1 Rb1 O5 101.8(6) 4 . ?
O1 Rb1 O5 149.9(6) 3_545 . ?
O4 Rb1 O5 69.1(4) 3 . ?
O4 Rb1 O5 160.3(5) 3_545 . ?
O5 Rb1 O5 105.8(7) 1_545 . ?
O2 Rb1 O6 98.0(4) 4_455 . ?
O2 Rb1 O6 137.5(5) 3_445 . ?
O1 Rb1 O6 89.5(4) 4 . ?
O1 Rb1 O6 128.1(5) 3_545 . ?
O4 Rb1 O6 44.0(4) 3 . ?
O4 Rb1 O6 120.6(3) 3_545 . ?
O5 Rb1 O6 118.9(5) 1_545 . ?
O5 Rb1 O6 43.8(4) . . ?
O2 Rb1 O6 137.5(5) 4_455 1_545 ?
O2 Rb1 O6 98.0(4) 3_445 1_545 ?
O1 Rb1 O6 128.1(5) 4 1_545 ?
O1 Rb1 O6 89.5(4) 3_545 1_545 ?
O4 Rb1 O6 120.6(3) 3 1_545 ?
O4 Rb1 O6 44.0(4) 3_545 1_545 ?
O5 Rb1 O6 43.8(4) 1_545 1_545 ?
O5 Rb1 O6 118.9(5) . 1_545 ?
O6 Rb1 O6 98.1(3) . 1_545 ?
O2 Rb1 Co2 111.0(5) 4_455 1_545 ?
O2 Rb1 Co2 77.5(4) 3_445 1_545 ?
O1 Rb1 Co2 153.3(5) 4 1_545 ?
O1 Rb1 Co2 107.1(4) 3_545 1_545 ?
O4 Rb1 Co2 139.1(3) 3 1_545 ?
O4 Rb1 Co2 64.9(3) 3_545 1_545 ?
O5 Rb1 Co2 21.5(4) 1_545 1_545 ?
O5 Rb1 Co2 103.1(4) . 1_545 ?
O6 Rb1 Co2 101.7(2) . 1_545 ?
O6 Rb1 Co2 26.9(3) 1_545 1_545 ?
O2 Rb1 Co2 77.5(4) 4_455 . ?
O2 Rb1 Co2 111.0(5) 3_445 . ?
O1 Rb1 Co2 107.1(4) 4 . ?
O1 Rb1 Co2 153.3(5) 3_545 . ?
O4 Rb1 Co2 64.9(3) 3 . ?
O4 Rb1 Co2 139.1(3) 3_545 . ?
O5 Rb1 Co2 103.1(4) 1_545 . ?
O5 Rb1 Co2 21.5(4) . . ?
O6 Rb1 Co2 26.9(3) . . ?
O6 Rb1 Co2 101.7(2) 1_545 . ?
Co2 Rb1 Co2 92.90(16) 1_545 . ?
O3 Rb2 O3 117.6(5) 3 3_545 ?
O3 Rb2 O2 78.3(5) 3 . ?
O3 Rb2 O2 126.5(5) 3_545 . ?
O3 Rb2 O2 126.5(5) 3 2 ?
O3 Rb2 O2 78.3(5) 3_545 2 ?
O2 Rb2 O2 55.6(8) . 2 ?
O3 Rb2 O1 137.3(5) 3 2_655 ?
O3 Rb2 O1 91.1(5) 3_545 2_655 ?
O2 Rb2 O1 110.8(6) . 2_655 ?
O2 Rb2 O1 87.9(6) 2 2_655 ?
O3 Rb2 O1 91.1(5) 3 1_655 ?
O3 Rb2 O1 137.3(5) 3_545 1_655 ?
O2 Rb2 O1 87.9(6) . 1_655 ?
O2 Rb2 O1 110.8(6) 2 1_655 ?
O1 Rb2 O1 49.5(8) 2_655 1_655 ?
O3 Rb2 O6 59.3(3) 3 3_545 ?
O3 Rb2 O6 59.3(3) 3_545 3_545 ?
O2 Rb2 O6 120.8(4) . 3_545 ?
O2 Rb2 O6 120.8(4) 2 3_545 ?
O1 Rb2 O6 128.4(4) 2_655 3_545 ?
O1 Rb2 O6 128.4(4) 1_655 3_545 ?
O3 Rb2 O5 52.2(4) 3 1_655 ?
O3 Rb2 O5 132.4(5) 3_545 1_655 ?
O2 Rb2 O5 98.7(6) . 1_655 ?
O2 Rb2 O5 148.6(6) 2 1_655 ?
O1 Rb2 O5 85.2(5) 2_655 1_655 ?
O1 Rb2 O5 44.4(5) 1_655 1_655 ?
O6 Rb2 O5 86.8(4) 3_545 1_655 ?
O3 Rb2 O5 132.4(5) 3 1_645 ?
O3 Rb2 O5 52.2(4) 3_545 1_645 ?
O2 Rb2 O5 148.6(6) . 1_645 ?
O2 Rb2 O5 98.7(6) 2 1_645 ?
O1 Rb2 O5 44.4(5) 2_655 1_645 ?
O1 Rb2 O5 85.2(5) 1_655 1_645 ?
O6 Rb2 O5 86.8(4) 3_545 1_645 ?
O5 Rb2 O5 97.5(6) 1_655 1_645 ?
O3 Rb2 Si1A 30.5(3) 3 3 ?
O3 Rb2 Si1A 112.8(3) 3_545 3 ?
O2 Rb2 Si1A 103.8(4) . 3 ?
O2 Rb2 Si1A 156.9(4) 2 3 ?
O1 Rb2 Si1A 111.3(4) 2_655 3 ?
O1 Rb2 Si1A 75.6(4) 1_655 3 ?
O6 Rb2 Si1A 57.37(17) 3_545 3 ?
O5 Rb2 Si1A 31.2(4) 1_655 3 ?
O5 Rb2 Si1A 104.0(4) 1_645 3 ?
O3 Rb2 Si1A 112.8(3) 3 3_545 ?
O3 Rb2 Si1A 30.5(3) 3_545 3_545 ?
O2 Rb2 Si1A 156.9(4) . 3_545 ?
O2 Rb2 Si1A 103.8(4) 2 3_545 ?
O1 Rb2 Si1A 75.6(4) 2_655 3_545 ?
O1 Rb2 Si1A 111.3(4) 1_655 3_545 ?
O6 Rb2 Si1A 57.37(17) 3_545 3_545 ?
O5 Rb2 Si1A 104.0(4) 1_655 3_545 ?
O5 Rb2 Si1A 31.2(4) 1_645 3_545 ?
Si1A Rb2 Si1A 93.76(16) 3 3_545 ?
O3 Rb2 Si1 115.6(3) 3 1_655 ?
O3 Rb2 Si1 115.6(3) 3_545 1_655 ?
O2 Rb2 Si1 97.2(4) . 1_655 ?
O2 Rb2 Si1 97.2(4) 2 1_655 ?
O1 Rb2 Si1 25.0(4) 2_655 1_655 ?
O1 Rb2 Si1 25.0(4) 1_655 1_655 ?
O6 Rb2 Si1 136.4(3) 3_545 1_655 ?
O5 Rb2 Si1 65.7(3) 1_655 1_655 ?
O5 Rb2 Si1 65.7(3) 1_645 1_655 ?
Si1A Rb2 Si1 95.82(16) 3 1_655 ?
Si1A Rb2 Si1 95.82(16) 3_545 1_655 ?
O2 Co1 O2 104.6(14) 2 . ?
O2 Co1 O3 118.2(7) 2 . ?
O2 Co1 O3 118.2(7) . . ?
O2 Co1 O5 106.1(8) 2 3_544 ?
O2 Co1 O5 106.1(8) . 3_544 ?
O3 Co1 O5 102.4(10) . 3_544 ?
O2 Co1 Cs2 80.8(7) 2 3_444 ?
O2 Co1 Cs2 174.6(7) . 3_444 ?
O3 Co1 Cs2 58.6(3) . 3_444 ?
O5 Co1 Cs2 71.3(5) 3_544 3_444 ?
O2 Co1 Cs2 174.5(7) 2 3_454 ?
O2 Co1 Cs2 80.8(7) . 3_454 ?
O3 Co1 Cs2 58.6(3) . 3_454 ?
O5 Co1 Cs2 71.3(5) 3_544 3_454 ?
Cs2 Co1 Cs2 93.76(16) 3_444 3_454 ?
O2 Co1 Rb2 53.2(7) 2 . ?
O2 Co1 Rb2 53.2(7) . . ?
O3 Co1 Rb2 151.9(6) . . ?
O5 Co1 Rb2 105.8(8) 3_544 . ?
Cs2 Co1 Rb2 131.93(8) 3_444 . ?
Cs2 Co1 Rb2 131.93(8) 3_454 . ?
O2 Co1 Cs1 113.9(7) 2 3_554 ?
O2 Co1 Cs1 48.4(6) . 3_554 ?
O3 Co1 Cs1 127.7(3) . 3_554 ?
O5 Co1 Cs1 57.8(5) 3_544 3_554 ?
Cs2 Co1 Cs1 129.11(19) 3_444 3_554 ?
Cs2 Co1 Cs1 69.13(7) 3_454 3_554 ?
Rb2 Co1 Cs1 69.80(9) . 3_554 ?
O2 Co1 Cs1 48.4(6) 2 3_544 ?
O2 Co1 Cs1 113.9(7) . 3_544 ?
O3 Co1 Cs1 127.7(3) . 3_544 ?
O5 Co1 Cs1 57.8(5) 3_544 3_544 ?
Cs2 Co1 Cs1 69.13(6) 3_444 3_544 ?
Cs2 Co1 Cs1 129.11(19) 3_454 3_544 ?
Rb2 Co1 Cs1 69.80(9) . 3_544 ?
Cs1 Co1 Cs1 85.08(12) 3_554 3_544 ?
O2 Co1 Rb1 73.7(6) 2 . ?
O2 Co1 Rb1 73.7(6) . . ?
O3 Co1 Rb1 77.9(5) . . ?
O5 Co1 Rb1 179.8(9) 3_544 . ?
Cs2 Co1 Rb1 108.81(12) 3_444 . ?
Cs2 Co1 Rb1 108.81(12) 3_454 . ?
Rb2 Co1 Rb1 73.98(13) . . ?
Cs1 Co1 Rb1 122.02(13) 3_554 . ?
Cs1 Co1 Rb1 122.02(13) 3_544 . ?
O5 Co2 O1 117.3(11) . 2_565 ?
O5 Co2 O1 117.3(11) . . ?
O1 Co2 O1 102.9(17) 2_565 . ?
O5 Co2 O6 115.1(13) . . ?
O1 Co2 O6 100.9(9) 2_565 . ?
O1 Co2 O6 100.9(9) . . ?
O5 Co2 Rb1 65.1(7) . . ?
O1 Co2 Rb1 172.0(8) 2_565 . ?
O1 Co2 Rb1 81.8(8) . . ?
O6 Co2 Rb1 71.6(3) . . ?
O5 Co2 Cs1 65.1(7) . 1_565 ?
O1 Co2 Cs1 81.8(8) 2_565 1_565 ?
O1 Co2 Cs1 172.0(8) . 1_565 ?
O6 Co2 Cs1 71.6(3) . 1_565 ?
Rb1 Co2 Cs1 92.90(16) . 1_565 ?
O5 Co2 Cs1 116.2(12) . 3_454 ?
O1 Co2 Cs1 54.4(8) 2_565 3_454 ?
O1 Co2 Cs1 54.4(8) . 3_454 ?
O6 Co2 Cs1 128.7(5) . 3_454 ?
Rb1 Co2 Cs1 132.47(10) . 3_454 ?
Cs1 Co2 Cs1 132.47(10) 1_565 3_454 ?
O5 Co2 Cs2 64.1(8) . 1_455 ?
O1 Co2 Cs2 118.9(8) 2_565 1_455 ?
O1 Co2 Cs2 54.5(8) . 1_455 ?
O6 Co2 Cs2 135.93(14) . 1_455 ?
Rb1 Co2 Cs2 69.12(6) . 1_455 ?
Cs1 Co2 Cs2 128.99(17) 1_565 1_455 ?
Cs1 Co2 Cs2 70.44(12) 3_454 1_455 ?
O5 Co2 Cs2 64.1(8) . 1_465 ?
O1 Co2 Cs2 54.5(8) 2_565 1_465 ?
O1 Co2 Cs2 118.9(8) . 1_465 ?
O6 Co2 Cs2 135.93(14) . 1_465 ?
Rb1 Co2 Cs2 128.99(17) . 1_465 ?
Cs1 Co2 Cs2 69.12(6) 1_565 1_465 ?
Cs1 Co2 Cs2 70.44(12) 3_454 1_465 ?
Cs2 Co2 Cs2 85.66(15) 1_455 1_465 ?
O5 Co2 Cs2 169.4(12) . 3_454 ?
O1 Co2 Cs2 68.1(8) 2_565 3_454 ?
O1 Co2 Cs2 68.1(8) . 3_454 ?
O6 Co2 Cs2 54.3(5) . 3_454 ?
Rb1 Co2 Cs2 108.28(15) . 3_454 ?
Cs1 Co2 Cs2 108.28(15) 1_565 3_454 ?
Cs1 Co2 Cs2 74.42(11) 3_454 3_454 ?
Cs2 Co2 Cs2 122.59(12) 1_455 3_454 ?
Cs2 Co2 Cs2 122.59(12) 1_465 3_454 ?
O3 Si1 O1 112.6(10) . 2 ?
O3 Si1 O1 112.6(10) . . ?
O1 Si1 O1 117.8(19) 2 . ?
O3 Si1 O4 111.0(11) . . ?
O1 Si1 O4 100.6(9) 2 . ?
O1 Si1 O4 100.6(9) . . ?
O3 Si1 Cs2 149.9(8) . 1_455 ?
O1 Si1 Cs2 59.6(9) 2 1_455 ?
O1 Si1 Cs2 59.6(10) . 1_455 ?
O4 Si1 Cs2 99.1(7) . 1_455 ?
O3 Si1 Cs2 53.8(4) . 3_444 ?
O1 Si1 Cs2 75.6(9) 2 3_444 ?
O1 Si1 Cs2 165.3(10) . 3_444 ?
O4 Si1 Cs2 81.5(5) . 3_444 ?
Cs2 Si1 Cs2 134.72(12) 1_455 3_444 ?
O3 Si1 Cs2 53.8(4) . 3_454 ?
O1 Si1 Cs2 165.3(10) 2 3_454 ?
O1 Si1 Cs2 75.6(9) . 3_454 ?
O4 Si1 Cs2 81.5(5) . 3_454 ?
Cs2 Si1 Cs2 134.72(12) 1_455 3_454 ?
Cs2 Si1 Cs2 90.4(2) 3_444 3_454 ?
O3 Si1 Rb1 81.8(8) . . ?
O1 Si1 Rb1 73.4(8) 2 . ?
O1 Si1 Rb1 73.4(8) . . ?
O4 Si1 Rb1 167.2(8) . . ?
Cs2 Si1 Rb1 68.09(17) 1_455 . ?
Cs2 Si1 Rb1 107.3(2) 3_444 . ?
Cs2 Si1 Rb1 107.3(2) 3_454 . ?
O3 Si1 Cs1 128.7(4) . 3_444 ?
O1 Si1 Cs1 47.7(8) 2 3_444 ?
O1 Si1 Cs1 118.1(9) . 3_444 ?
O4 Si1 Cs1 53.0(4) . 3_444 ?
Cs2 Si1 Cs1 70.28(18) 1_455 3_444 ?
Cs2 Si1 Cs1 74.88(10) 3_444 3_444 ?
Cs2 Si1 Cs1 133.4(3) 3_454 3_444 ?
Rb1 Si1 Cs1 119.33(19) . 3_444 ?
O3 Si1 Cs1 128.7(4) . 3_454 ?
O1 Si1 Cs1 118.1(9) 2 3_454 ?
O1 Si1 Cs1 47.7(8) . 3_454 ?
O4 Si1 Cs1 53.0(4) . 3_454 ?
Cs2 Si1 Cs1 70.28(18) 1_455 3_454 ?
Cs2 Si1 Cs1 133.4(3) 3_444 3_454 ?
Cs2 Si1 Cs1 74.88(10) 3_454 3_454 ?
Rb1 Si1 Cs1 119.33(19) . 3_454 ?
Cs1 Si1 Cs1 83.8(2) 3_444 3_454 ?
O2 Si2 O2 102.3(17) . 2_565 ?
O2 Si2 O4 115.8(9) . 3 ?
O2 Si2 O4 115.8(9) 2_565 3 ?
O2 Si2 O6 108.2(9) . . ?
O2 Si2 O6 108.2(9) 2_565 . ?
O4 Si2 O6 106.2(11) 3 . ?
O2 Si2 Cs1 174.2(9) . 1_565 ?
O2 Si2 Cs1 83.5(8) 2_565 1_565 ?
O4 Si2 Cs1 60.7(5) 3 1_565 ?
O6 Si2 Cs1 69.7(4) . 1_565 ?
O2 Si2 Rb1 83.5(8) . . ?
O2 Si2 Rb1 174.2(9) 2_565 . ?
O4 Si2 Rb1 60.7(5) 3 . ?
O6 Si2 Rb1 69.7(4) . . ?
Cs1 Si2 Rb1 90.7(2) 1_565 . ?
O2 Si2 Cs1 51.2(9) . 3_554 ?
O2 Si2 Cs1 51.2(9) 2_565 3_554 ?
O4 Si2 Cs1 130.2(9) 3 3_554 ?
O6 Si2 Cs1 123.5(6) . 3_554 ?
Cs1 Si2 Cs1 134.49(12) 1_565 3_554 ?
Rb1 Si2 Cs1 134.49(12) . 3_554 ?
O2 Si2 Cs2 74.3(8) . 3_454 ?
O2 Si2 Cs2 74.3(8) 2_565 3_454 ?
O4 Si2 Cs2 161.7(10) 3 3_454 ?
O6 Si2 Cs2 55.4(5) . 3_454 ?
Cs1 Si2 Cs2 107.8(2) 1_565 3_454 ?
Rb1 Si2 Cs2 107.8(2) . 3_454 ?
Cs1 Si2 Cs2 68.10(16) 3_554 3_454 ?
O2 Si2 Cs2 109.2(9) . 1_565 ?
O2 Si2 Cs2 45.1(8) 2_565 1_565 ?
O4 Si2 Cs2 73.5(6) 3 1_565 ?
O6 Si2 Cs2 138.05(14) . 1_565 ?
Cs1 Si2 Cs2 74.72(10) 1_565 1_565 ?
Rb1 Si2 Cs2 133.0(3) . 1_565 ?
Cs1 Si2 Cs2 69.86(17) 3_554 1_565 ?
Cs2 Si2 Cs2 119.19(18) 3_454 1_565 ?
O2 Si2 Rb2 45.1(8) . . ?
O2 Si2 Rb2 109.2(9) 2_565 . ?
O4 Si2 Rb2 73.5(6) 3 . ?
O6 Si2 Rb2 138.05(14) . . ?
Cs1 Si2 Rb2 133.0(3) 1_565 . ?
Rb1 Si2 Rb2 74.73(10) . . ?
Cs1 Si2 Rb2 69.86(17) 3_554 . ?
Cs2 Si2 Rb2 119.19(18) 3_454 . ?
Cs2 Si2 Rb2 83.2(2) 1_565 . ?
Si1 O1 Co2 145.9(15) . . ?
Si1 O1 Cs1 110.3(10) . 3_454 ?
Co2 O1 Cs1 100.1(10) . 3_454 ?
Si1 O1 Cs2 95.4(11) . 1_455 ?
Co2 O1 Cs2 100.8(9) . 1_455 ?
Cs1 O1 Cs2 88.3(6) 3_454 1_455 ?
Si1 O1 Cs2 79.7(9) . 3_454 ?
Co2 O1 Cs2 87.1(10) . 3_454 ?
Cs1 O1 Cs2 86.6(6) 3_454 3_454 ?
Cs2 O1 Cs2 171.3(7) 1_455 3_454 ?
Si2 O2 Co1 133.6(14) . . ?
Si2 O2 Cs1 105.3(11) . 3_554 ?
Co1 O2 Cs1 104.8(8) . 3_554 ?
Si2 O2 Rb2 114.2(10) . . ?
Co1 O2 Rb2 98.7(9) . . ?
Cs1 O2 Rb2 92.7(6) 3_554 . ?
Si1 O3 Co1 151.8(12) . . ?
Si1 O3 Cs2 103.3(5) . 3_444 ?
Co1 O3 Cs2 90.9(4) . 3_444 ?
Si1 O3 Cs2 103.3(5) . 3_454 ?
Co1 O3 Cs2 90.9(4) . 3_454 ?
Cs2 O3 Cs2 117.6(5) 3_444 3_454 ?
Si2 O4 Si1 148.4(15) 3_444 . ?
Si2 O4 Cs1 94.7(6) 3_444 3_444 ?
Si1 O4 Cs1 103.4(5) . 3_444 ?
Si2 O4 Cs1 94.7(6) 3_444 3_454 ?
Si1 O4 Cs1 103.4(5) . 3_454 ?
Cs1 O4 Cs1 108.9(5) 3_444 3_454 ?
Co2 O5 Si1A 170(2) . 3_455 ?
Co2 O5 Rb1 93.4(7) . . ?
Si1A O5 Rb1 92.8(7) 3_455 . ?
Co2 O5 Cs1 93.4(7) . 1_565 ?
Si1A O5 Cs1 92.8(7) 3_455 1_565 ?
Rb1 O5 Cs1 105.8(7) . 1_565 ?
Co2 O5 Cs2 95.9(10) . 1_455 ?
Si1A O5 Cs2 77.4(5) 3_455 1_455 ?
Rb1 O5 Cs2 77.55(5) . 1_455 ?
Cs1 O5 Cs2 169.9(6) 1_565 1_455 ?
Co2 O5 Cs2 95.9(10) . 1_465 ?
Si1A O5 Cs2 77.4(5) 3_455 1_465 ?
Rb1 O5 Cs2 169.9(6) . 1_465 ?
Cs1 O5 Cs2 77.55(5) 1_565 1_465 ?
Cs2 O5 Cs2 97.5(6) 1_455 1_465 ?
Si2 O6 Co2 158.4(10) . . ?
Si2 O6 Cs2 100.4(7) . 3_454 ?
Co2 O6 Cs2 101.2(6) . 3_454 ?
Si2 O6 Cs1 84.5(4) . 1_565 ?
Co2 O6 Cs1 81.4(4) . 1_565 ?
Cs2 O6 Cs1 130.93(17) 3_454 1_565 ?
Si2 O6 Rb1 84.5(4) . . ?
Co2 O6 Rb1 81.4(4) . . ?
Cs2 O6 Rb1 130.93(17) 3_454 . ?
Cs1 O6 Rb1 98.1(3) 1_565 . ?

_refine_diff_density_max         1.727
_refine_diff_density_min         -1.126
_refine_diff_density_rms         0.162

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mus1113c
_database_code_depnum_ccdc_archive 'CCDC 1957759'
loop_
_audit_author_name
_audit_author_address
'Mark Smith'
;University of South Carolina
United States of America
;
_audit_update_record             
;
2019-10-06 deposited with the CCDC.	2020-01-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Co Cs2 Ge4 O10'
_chemical_formula_sum            'Co Cs2 Ge4 O10'
_chemical_formula_weight         775.13

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           82
_space_group_name_H-M_alt        'I -4'
_space_group_name_Hall           'I -4'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'

_cell_length_a                   7.3540(6)
_cell_length_b                   7.3540(6)
_cell_length_c                   13.1122(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     709.13(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    301(2)
_cell_measurement_reflns_used    9843
_cell_measurement_theta_min      3.207
_cell_measurement_theta_max      33.129

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.630
_exptl_crystal_F_000             690
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    14.614
_shelx_estimated_absorpt_T_min   0.203
_shelx_estimated_absorpt_T_max   0.323
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0936
_exptl_absorpt_correction_T_max  0.1605
_exptl_absorpt_process_details   'SADABS Version 2016/2 (Bruker, 2016)'
_diffrn_ambient_temperature      301(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean 10.4
_diffrn_reflns_number            14639
_diffrn_reflns_av_unetI/netI     0.0108
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.176
_diffrn_reflns_theta_max         33.142
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             1368
_reflns_number_gt                1322
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.919
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX3 v2016.5-0 (Bruker, 2016)'
_computing_cell_refinement       'SAINT Version 8.38a (Bruker, 2016)'
_computing_data_reduction        'SAINT Version 8.38a (Bruker, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    various
_computing_publication_material  various
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0402P)²+0.2935P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 617 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.013(7)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         1368
_refine_ls_number_parameters     80
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0235
_refine_ls_wR_factor_ref         0.0661
_refine_ls_wR_factor_gt          0.0651
_refine_ls_goodness_of_fit_ref   1.221
_refine_ls_restrained_S_all      1.221
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.2362(5) 0.4964(3) 0.27266(16) 0.0629(9) Uani 0.215(2) 1 d . . P . .
Cs2 Cs 0.4355(13) 0.5178(5) 0.3288(7) 0.104(4) Uani 0.196(4) 1 d . . P . .
Cs3 Cs 0.346(3) 0.503(3) 0.2985(15) 0.042(5) Uiso 0.025(3) 1 d . . P . .
Cs4 Cs 0.4728(19) 0.508(3) 0.3751(19) 0.026(5) Uiso 0.017(3) 1 d . . P . .
Cs5 Cs 0.521(4) 0.498(5) 0.422(2) 0.045(7) Uiso 0.019(2) 1 d . . P . .
Cs6 Cs 0.482(5) 0.493(6) 0.4719(19) 0.054(8) Uiso 0.019(2) 1 d . . P . .
Cs7 Cs 0.201(8) 0.601(9) 0.260(5) 0.061(18) Uiso 0.009(2) 1 d . . P . .
Ge1 Ge 0.52935(6) 0.20820(5) 0.03842(3) 0.02971(12) Uani 1 1 d . . . . .
Co1 Co 0.500000 0.000000 0.250000 0.0314(2) Uani 1 4 d S T P . .
O1 O 0.3204(5) 0.3249(7) 0.0453(4) 0.0521(11) Uani 1 1 d . . . . .
O2 O 0.6095(6) 0.1791(6) 0.1594(3) 0.0446(8) Uani 1 1 d . . . . .
O3 O 0.500000 0.000000 -0.0257(5) 0.082(3) Uani 1 2 d S T P . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 Cs7 0.83(6) . ?
Cs1 Cs3 0.88(2) . ?
Cs1 Cs2 1.647(12) . ?
Cs1 Cs7 1.81(6) 7_455 ?
Cs1 Cs4 2.20(2) . ?
Cs1 Cs2 2.526(9) 2_665 ?
Cs1 Cs4 2.526(17) 2_665 ?
Cs1 Cs1 2.528(5) 7_455 ?
Cs1 Cs1 2.528(5) 8 ?
Cs1 Cs5 2.65(3) 2_665 ?
Cs1 Cs5 2.86(3) . ?
Cs1 Cs7 2.93(6) 8 ?
Cs2 Cs4 0.67(2) . ?
Cs2 Cs3 0.77(2) . ?
Cs2 Cs4 0.927(18) 2_665 ?
Cs2 Cs2 0.98(2) 2_665 ?
Cs2 Cs5 1.27(3) 2_665 ?
Cs2 Cs5 1.38(3) . ?
Cs2 Cs3 1.66(3) 2_665 ?
Cs2 Cs6 1.92(2) . ?
Cs2 Cs6 1.97(3) 2_665 ?
Cs2 Cs7 2.03(6) . ?
Cs3 Cs4 1.37(3) . ?
Cs3 Cs7 1.38(6) . ?
Cs3 Cs4 1.67(3) 2_665 ?
Cs3 Cs5 1.89(3) 2_665 ?
Cs3 Cs5 2.06(3) . ?
Cs3 Cs3 2.26(4) 2_665 ?
Cs3 Cs7 2.47(7) 7_455 ?
Cs3 Cs6 2.48(3) . ?
Cs3 Cs6 2.60(4) 2_665 ?
Cs4 Cs4 0.42(3) 2_665 ?
Cs4 Cs5 0.62(2) 2_665 ?
Cs4 Cs5 0.71(2) . ?
Cs4 Cs6 1.28(3) . ?
Cs4 Cs6 1.31(3) 2_665 ?
Cs4 Cs6 2.01(4) 3_566 ?
Cs4 Cs6 2.03(4) 4_656 ?
Cs5 Cs5 0.30(6) 2_665 ?
Cs5 Cs6 0.66(2) 2_665 ?
Cs5 Cs6 0.71(3) . ?
Cs5 Cs6 1.40(5) 4_656 ?
Cs5 Cs6 1.41(5) 3_566 ?
Cs5 Cs5 2.06(6) 3_566 ?
Cs5 Cs5 2.06(6) 4_656 ?
Cs6 Cs6 0.28(7) 2_665 ?
Cs6 Cs6 0.76(4) 4_656 ?
Cs6 Cs6 0.76(4) 3_566 ?
Cs7 Cs7 2.36(9) 8 ?
Cs7 Cs7 2.36(9) 7_455 ?
Cs7 O2 2.51(7) 2_665 ?
Ge1 O2 1.706(4) . ?
Ge1 O1 1.742(4) 4_655 ?
Ge1 O3 1.760(3) . ?
Ge1 O1 1.762(4) . ?
Co1 O2 1.948(4) . ?
Co1 O2 1.948(4) 2_655 ?
Co1 O2 1.948(4) 7 ?
Co1 O2 1.948(4) 8_545 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cs7 Cs1 Cs3 108(5) . . ?
Cs7 Cs1 Cs2 106(4) . . ?
Cs3 Cs1 Cs2 4.7(13) . . ?
Cs7 Cs1 Cs7 122(6) . 7_455 ?
Cs3 Cs1 Cs7 130(3) . 7_455 ?
Cs2 Cs1 Cs7 132(2) . 7_455 ?
Cs7 Cs1 Cs4 109(4) . . ?
Cs3 Cs1 Cs4 15.0(12) . . ?
Cs2 Cs1 Cs4 11.4(5) . . ?
Cs7 Cs1 Cs4 128(2) 7_455 . ?
Cs7 Cs1 Cs2 113(4) . 2_665 ?
Cs3 Cs1 Cs2 7.8(12) . 2_665 ?
Cs2 Cs1 Cs2 12.5(2) . 2_665 ?
Cs7 Cs1 Cs2 124(2) 7_455 2_665 ?
Cs4 Cs1 Cs2 21.2(5) . 2_665 ?
Cs7 Cs1 Cs4 112(4) . 2_665 ?
Cs3 Cs1 Cs4 10.2(13) . 2_665 ?
Cs2 Cs1 Cs4 8.3(4) . 2_665 ?
Cs7 Cs1 Cs4 125(2) 7_455 2_665 ?
Cs4 Cs1 Cs4 6.3(5) . 2_665 ?
Cs2 Cs1 Cs4 15.2(4) 2_665 2_665 ?
Cs7 Cs1 Cs1 112(4) . 7_455 ?
Cs3 Cs1 Cs1 140.2(15) . 7_455 ?
Cs2 Cs1 Cs1 142.2(2) . 7_455 ?
Cs7 Cs1 Cs1 11(2) 7_455 7_455 ?
Cs4 Cs1 Cs1 136.3(5) . 7_455 ?
Cs2 Cs1 Cs1 135.03(14) 2_665 7_455 ?
Cs4 Cs1 Cs1 135.0(4) 2_665 7_455 ?
Cs7 Cs1 Cs1 25(4) . 8 ?
Cs3 Cs1 Cs1 132.7(15) . 8 ?
Cs2 Cs1 Cs1 129.8(2) . 8 ?
Cs7 Cs1 Cs1 98(2) 7_455 8 ?
Cs4 Cs1 Cs1 130.6(5) . 8 ?
Cs2 Cs1 Cs1 138.07(14) 2_665 8 ?
Cs4 Cs1 Cs1 135.0(5) 2_665 8 ?
Cs1 Cs1 Cs1 86.83(4) 7_455 8 ?
Cs7 Cs1 Cs5 110(4) . 2_665 ?
Cs3 Cs1 Cs5 25.0(13) . 2_665 ?
Cs2 Cs1 Cs5 21.4(6) . 2_665 ?
Cs7 Cs1 Cs5 124(2) 7_455 2_665 ?
Cs4 Cs1 Cs5 10.0(6) . 2_665 ?
Cs2 Cs1 Cs5 30.8(6) 2_665 2_665 ?
Cs4 Cs1 Cs5 15.6(5) 2_665 2_665 ?
Cs1 Cs1 Cs5 130.9(7) 7_455 2_665 ?
Cs1 Cs1 Cs5 128.3(7) 8 2_665 ?
Cs7 Cs1 Cs5 111(4) . . ?
Cs3 Cs1 Cs5 20.6(13) . . ?
Cs2 Cs1 Cs5 17.3(6) . . ?
Cs7 Cs1 Cs5 125(2) 7_455 . ?
Cs4 Cs1 Cs5 5.8(6) . . ?
Cs2 Cs1 Cs5 26.3(6) 2_665 . ?
Cs4 Cs1 Cs5 11.1(6) 2_665 . ?
Cs1 Cs1 Cs5 132.3(7) 7_455 . ?
Cs1 Cs1 Cs5 130.6(7) 8 . ?
Cs5 Cs1 Cs5 4.5(8) 2_665 . ?
Cs7 Cs1 Cs7 40(4) . 8 ?
Cs3 Cs1 Cs7 144.0(19) . 8 ?
Cs2 Cs1 Cs7 140.2(12) . 8 ?
Cs7 Cs1 Cs7 85(3) 7_455 8 ?
Cs4 Cs1 Cs7 137.5(13) . 8 ?
Cs2 Cs1 Cs7 150.7(12) 2_665 8 ?
Cs4 Cs1 Cs7 143.2(13) 2_665 8 ?
Cs1 Cs1 Cs7 74.0(12) 7_455 8 ?
Cs1 Cs1 Cs7 15.2(12) 8 8 ?
Cs5 Cs1 Cs7 132.1(14) 2_665 8 ?
Cs5 Cs1 Cs7 135.6(13) . 8 ?
Cs4 Cs2 Cs3 143(2) . . ?
Cs4 Cs2 Cs4 24.1(16) . 2_665 ?
Cs3 Cs2 Cs4 157(2) . 2_665 ?
Cs4 Cs2 Cs2 65.0(15) . 2_665 ?
Cs3 Cs2 Cs2 141.0(15) . 2_665 ?
Cs4 Cs2 Cs2 40.9(13) 2_665 2_665 ?
Cs4 Cs2 Cs5 9.5(18) . 2_665 ?
Cs3 Cs2 Cs5 134(2) . 2_665 ?
Cs4 Cs2 Cs5 33.4(14) 2_665 2_665 ?
Cs2 Cs2 Cs5 74.3(13) 2_665 2_665 ?
Cs4 Cs2 Cs5 2.7(16) . . ?
Cs3 Cs2 Cs5 145(2) . . ?
Cs4 Cs2 Cs5 21.5(16) 2_665 . ?
Cs2 Cs2 Cs5 62.3(12) 2_665 . ?
Cs5 Cs2 Cs5 12(2) 2_665 . ?
Cs4 Cs2 Cs1 139.4(16) . . ?
Cs3 Cs2 Cs1 5.4(14) . . ?
Cs4 Cs2 Cs1 156.8(11) 2_665 . ?
Cs2 Cs2 Cs1 146.3(3) 2_665 . ?
Cs5 Cs2 Cs1 130.3(13) 2_665 . ?
Cs5 Cs2 Cs1 142.0(13) . . ?
Cs4 Cs2 Cs3 79.1(17) . 2_665 ?
Cs3 Cs2 Cs3 133(2) . 2_665 ?
Cs4 Cs2 Cs3 55.6(15) 2_665 2_665 ?
Cs2 Cs2 Cs3 17.1(7) 2_665 2_665 ?
Cs5 Cs2 Cs3 88.6(15) 2_665 2_665 ?
Cs5 Cs2 Cs3 76.4(14) . 2_665 ?
Cs1 Cs2 Cs3 138.1(8) . 2_665 ?
Cs4 Cs2 Cs6 13.9(16) . . ?
Cs3 Cs2 Cs6 129.8(19) . . ?
Cs4 Cs2 Cs6 37.7(17) 2_665 . ?
Cs2 Cs2 Cs6 78.6(13) 2_665 . ?
Cs5 Cs2 Cs6 4.4(18) 2_665 . ?
Cs5 Cs2 Cs6 16.7(13) . . ?
Cs1 Cs2 Cs6 126.0(12) . . ?
Cs3 Cs2 Cs6 93.1(14) 2_665 . ?
Cs4 Cs2 Cs6 7.4(19) . 2_665 ?
Cs3 Cs2 Cs6 137.9(17) . 2_665 ?
Cs4 Cs2 Cs6 31.3(16) 2_665 2_665 ?
Cs2 Cs2 Cs6 72.1(11) 2_665 2_665 ?
Cs5 Cs2 Cs6 4.3(17) 2_665 2_665 ?
Cs5 Cs2 Cs6 9.9(18) . 2_665 ?
Cs1 Cs2 Cs6 133.9(10) . 2_665 ?
Cs3 Cs2 Cs6 85.8(12) 2_665 2_665 ?
Cs6 Cs2 Cs6 8(2) . 2_665 ?
Cs4 Cs2 Cs7 141(2) . . ?
Cs3 Cs2 Cs7 26(2) . . ?
Cs4 Cs2 Cs7 165(2) 2_665 . ?
Cs2 Cs2 Cs7 153.5(18) 2_665 . ?
Cs5 Cs2 Cs7 132(2) 2_665 . ?
Cs5 Cs2 Cs7 144(2) . . ?
Cs1 Cs2 Cs7 23.0(18) . . ?
Cs3 Cs2 Cs7 137.7(19) 2_665 . ?
Cs6 Cs2 Cs7 128(2) . . ?
Cs6 Cs2 Cs7 134(2) 2_665 . ?
Cs4 Cs2 Cs1 82.4(17) . 2_665 ?
Cs3 Cs2 Cs1 130.8(14) . 2_665 ?
Cs4 Cs2 Cs1 59.2(15) 2_665 2_665 ?
Cs2 Cs2 Cs1 21.2(3) 2_665 2_665 ?
Cs5 Cs2 Cs1 91.9(14) 2_665 2_665 ?
Cs5 Cs2 Cs1 79.7(13) . 2_665 ?
Cs1 Cs2 Cs1 135.8(4) . 2_665 ?
Cs3 Cs2 Cs1 4.1(7) 2_665 2_665 ?
Cs6 Cs2 Cs1 96.3(13) . 2_665 ?
Cs6 Cs2 Cs1 88.9(11) 2_665 2_665 ?
Cs7 Cs2 Cs1 133.8(18) . 2_665 ?
Cs2 Cs3 Cs1 170(3) . . ?
Cs2 Cs3 Cs4 17.2(11) . . ?
Cs1 Cs3 Cs4 155(2) . . ?
Cs2 Cs3 Cs7 140(4) . . ?
Cs1 Cs3 Cs7 35(3) . . ?
Cs4 Cs3 Cs7 141(3) . . ?
Cs2 Cs3 Cs2 21.9(10) . 2_665 ?
Cs1 Cs3 Cs2 168.1(19) . 2_665 ?
Cs4 Cs3 Cs2 34.0(8) . 2_665 ?
Cs7 Cs3 Cs2 152(3) . 2_665 ?
Cs2 Cs3 Cs4 12.5(12) . 2_665 ?
Cs1 Cs3 Cs4 164(2) . 2_665 ?
Cs4 Cs3 Cs4 11.1(8) . 2_665 ?
Cs7 Cs3 Cs4 149(3) . 2_665 ?
Cs2 Cs3 Cs4 23.2(7) 2_665 2_665 ?
Cs2 Cs3 Cs5 28.8(14) . 2_665 ?
Cs1 Cs3 Cs5 143.6(19) . 2_665 ?
Cs4 Cs3 Cs5 11.8(10) . 2_665 ?
Cs7 Cs3 Cs5 135(3) . 2_665 ?
Cs2 Cs3 Cs5 45.2(10) 2_665 2_665 ?
Cs4 Cs3 Cs5 21.9(9) 2_665 2_665 ?
Cs2 Cs3 Cs5 22.4(13) . . ?
Cs1 Cs3 Cs5 150.7(18) . . ?
Cs4 Cs3 Cs5 5.2(10) . . ?
Cs7 Cs3 Cs5 140(3) . . ?
Cs2 Cs3 Cs5 37.9(9) 2_665 . ?
Cs4 Cs3 Cs5 14.7(9) 2_665 . ?
Cs5 Cs3 Cs5 7.2(13) 2_665 . ?
Cs2 Cs3 Cs3 32.5(14) . 2_665 ?
Cs1 Cs3 Cs3 157.0(13) . 2_665 ?
Cs4 Cs3 Cs3 47.3(10) . 2_665 ?
Cs7 Cs3 Cs3 141(3) . 2_665 ?
Cs2 Cs3 Cs3 14.5(6) 2_665 2_665 ?
Cs4 Cs3 Cs3 37.1(9) 2_665 2_665 ?
Cs5 Cs3 Cs3 58.9(10) 2_665 2_665 ?
Cs5 Cs3 Cs3 51.7(9) . 2_665 ?
Cs2 Cs3 Cs7 150(3) . 7_455 ?
Cs1 Cs3 Cs7 34.4(19) . 7_455 ?
Cs4 Cs3 Cs7 138(2) . 7_455 ?
Cs7 Cs3 Cs7 69(4) . 7_455 ?
Cs2 Cs3 Cs7 136.6(19) 2_665 7_455 ?
Cs4 Cs3 Cs7 138(2) 2_665 7_455 ?
Cs5 Cs3 Cs7 130(2) 2_665 7_455 ?
Cs5 Cs3 Cs7 134(2) . 7_455 ?
Cs3 Cs3 Cs7 136(2) 2_665 7_455 ?
Cs2 Cs3 Cs6 36.4(14) . . ?
Cs1 Cs3 Cs6 136.1(18) . . ?
Cs4 Cs3 Cs6 19.4(11) . . ?
Cs7 Cs3 Cs6 131(3) . . ?
Cs2 Cs3 Cs6 52.4(10) 2_665 . ?
Cs4 Cs3 Cs6 29.2(11) 2_665 . ?
Cs5 Cs3 Cs6 7.6(12) 2_665 . ?
Cs5 Cs3 Cs6 14.7(9) . . ?
Cs3 Cs3 Cs6 66.3(10) 2_665 . ?
Cs7 Cs3 Cs6 124.2(19) 7_455 . ?
Cs2 Cs3 Cs6 30.6(13) . 2_665 ?
Cs1 Cs3 Cs6 141.6(17) . 2_665 ?
Cs4 Cs3 Cs6 13.8(11) . 2_665 ?
Cs7 Cs3 Cs6 133(3) . 2_665 ?
Cs2 Cs3 Cs6 47.4(9) 2_665 2_665 ?
Cs4 Cs3 Cs6 24.1(10) 2_665 2_665 ?
Cs5 Cs3 Cs6 2.3(11) 2_665 2_665 ?
Cs5 Cs3 Cs6 9.4(12) . 2_665 ?
Cs3 Cs3 Cs6 61.0(8) 2_665 2_665 ?
Cs7 Cs3 Cs6 129.4(18) 7_455 2_665 ?
Cs6 Cs3 Cs6 5.8(15) . 2_665 ?
Cs4 Cs4 Cs5 84(3) 2_665 2_665 ?
Cs4 Cs4 Cs2 115.0(15) 2_665 . ?
Cs5 Cs4 Cs2 160(4) 2_665 . ?
Cs4 Cs4 Cs5 60(2) 2_665 . ?
Cs5 Cs4 Cs5 25(5) 2_665 . ?
Cs2 Cs4 Cs5 175(3) . . ?
Cs4 Cs4 Cs2 40.9(13) 2_665 2_665 ?
Cs5 Cs4 Cs2 125(4) 2_665 2_665 ?
Cs2 Cs4 Cs2 74(2) . 2_665 ?
Cs5 Cs4 Cs2 101(3) . 2_665 ?
Cs4 Cs4 Cs6 85.6(19) 2_665 . ?
Cs5 Cs4 Cs6 2(4) 2_665 . ?
Cs2 Cs4 Cs6 159(2) . . ?
Cs5 Cs4 Cs6 27(2) . . ?
Cs2 Cs4 Cs6 126(2) 2_665 . ?
Cs4 Cs4 Cs6 75.9(19) 2_665 2_665 ?
Cs5 Cs4 Cs6 11(3) 2_665 2_665 ?
Cs2 Cs4 Cs6 169(3) . 2_665 ?
Cs5 Cs4 Cs6 16(3) . 2_665 ?
Cs2 Cs4 Cs6 117(2) 2_665 2_665 ?
Cs6 Cs4 Cs6 12(3) . 2_665 ?
Cs4 Cs4 Cs3 130(2) 2_665 . ?
Cs5 Cs4 Cs3 141(3) 2_665 . ?
Cs2 Cs4 Cs3 20.0(12) . . ?
Cs5 Cs4 Cs3 165(3) . . ?
Cs2 Cs4 Cs3 90.4(19) 2_665 . ?
Cs6 Cs4 Cs3 140(2) . . ?
Cs6 Cs4 Cs3 152(2) 2_665 . ?
Cs4 Cs4 Cs3 39.1(17) 2_665 2_665 ?
Cs5 Cs4 Cs3 122(3) 2_665 2_665 ?
Cs2 Cs4 Cs3 77.6(19) . 2_665 ?
Cs5 Cs4 Cs3 97(2) . 2_665 ?
Cs2 Cs4 Cs3 10.4(9) 2_665 2_665 ?
Cs6 Cs4 Cs3 124(2) . 2_665 ?
Cs6 Cs4 Cs3 112(2) 2_665 2_665 ?
Cs3 Cs4 Cs3 95.6(18) . 2_665 ?
Cs4 Cs4 Cs6 86.5(13) 2_665 3_566 ?
Cs5 Cs4 Cs6 6(4) 2_665 3_566 ?
Cs2 Cs4 Cs6 158(2) . 3_566 ?
Cs5 Cs4 Cs6 27(2) . 3_566 ?
Cs2 Cs4 Cs6 127(2) 2_665 3_566 ?
Cs6 Cs4 Cs6 7(2) . 3_566 ?
Cs6 Cs4 Cs6 10.7(19) 2_665 3_566 ?
Cs3 Cs4 Cs6 141.5(18) . 3_566 ?
Cs3 Cs4 Cs6 122.9(17) 2_665 3_566 ?
Cs4 Cs4 Cs6 81.6(12) 2_665 4_656 ?
Cs5 Cs4 Cs6 3(3) 2_665 4_656 ?
Cs2 Cs4 Cs6 163(2) . 4_656 ?
Cs5 Cs4 Cs6 22(3) . 4_656 ?
Cs2 Cs4 Cs6 122.5(18) 2_665 4_656 ?
Cs6 Cs4 Cs6 4(2) . 4_656 ?
Cs6 Cs4 Cs6 9(2) 2_665 4_656 ?
Cs3 Cs4 Cs6 143.6(18) . 4_656 ?
Cs3 Cs4 Cs6 119.5(15) 2_665 4_656 ?
Cs6 Cs4 Cs6 8(2) 3_566 4_656 ?
Cs4 Cs4 Cs1 138(2) 2_665 . ?
Cs5 Cs4 Cs1 132(3) 2_665 . ?
Cs2 Cs4 Cs1 29.2(12) . . ?
Cs5 Cs4 Cs1 156(3) . . ?
Cs2 Cs4 Cs1 99.6(17) 2_665 . ?
Cs6 Cs4 Cs1 130.2(18) . . ?
Cs6 Cs4 Cs1 142(2) 2_665 . ?
Cs3 Cs4 Cs1 9.6(8) . . ?
Cs3 Cs4 Cs1 105.1(13) 2_665 . ?
Cs6 Cs4 Cs1 131.9(15) 3_566 . ?
Cs6 Cs4 Cs1 134.1(15) 4_656 . ?
Cs5 Cs5 Cs4 95(3) 2_665 2_665 ?
Cs5 Cs5 Cs6 88(5) 2_665 2_665 ?
Cs4 Cs5 Cs6 177(7) 2_665 2_665 ?
Cs5 Cs5 Cs4 60(2) 2_665 . ?
Cs4 Cs5 Cs4 36(3) 2_665 . ?
Cs6 Cs5 Cs4 147(6) 2_665 . ?
Cs5 Cs5 Cs6 67(4) 2_665 . ?
Cs4 Cs5 Cs6 160(6) 2_665 . ?
Cs6 Cs5 Cs6 23(6) 2_665 . ?
Cs4 Cs5 Cs6 127(5) . . ?
Cs5 Cs5 Cs2 105.2(17) 2_665 2_665 ?
Cs4 Cs5 Cs2 10(2) 2_665 2_665 ?
Cs6 Cs5 Cs2 167(5) 2_665 2_665 ?
Cs4 Cs5 Cs2 45.8(17) . 2_665 ?
Cs6 Cs5 Cs2 168(5) . 2_665 ?
Cs5 Cs5 Cs2 62.6(15) 2_665 . ?
Cs4 Cs5 Cs2 33(2) 2_665 . ?
Cs6 Cs5 Cs2 149(6) 2_665 . ?
Cs4 Cs5 Cs2 2.6(15) . . ?
Cs6 Cs5 Cs2 130(4) . . ?
Cs2 Cs5 Cs2 43.3(12) 2_665 . ?
Cs5 Cs5 Cs6 86(2) 2_665 4_656 ?
Cs4 Cs5 Cs6 171(5) 2_665 4_656 ?
Cs6 Cs5 Cs6 11(4) 2_665 4_656 ?
Cs4 Cs5 Cs6 146(4) . 4_656 ?
Cs6 Cs5 Cs6 19(3) . 4_656 ?
Cs2 Cs5 Cs6 165(3) 2_665 4_656 ?
Cs2 Cs5 Cs6 149(3) . 4_656 ?
Cs5 Cs5 Cs6 81(3) 2_665 3_566 ?
Cs4 Cs5 Cs6 176(5) 2_665 3_566 ?
Cs6 Cs5 Cs6 7(4) 2_665 3_566 ?
Cs4 Cs5 Cs6 140(4) . 3_566 ?
Cs6 Cs5 Cs6 18(3) . 3_566 ?
Cs2 Cs5 Cs6 173(3) 2_665 3_566 ?
Cs2 Cs5 Cs6 143(3) . 3_566 ?
Cs6 Cs5 Cs6 12(3) 4_656 3_566 ?
Cs5 Cs5 Cs3 121.0(12) 2_665 2_665 ?
Cs4 Cs5 Cs3 27(3) 2_665 2_665 ?
Cs6 Cs5 Cs3 150(5) 2_665 2_665 ?
Cs4 Cs5 Cs3 61(2) . 2_665 ?
Cs6 Cs5 Cs3 172(4) . 2_665 ?
Cs2 Cs5 Cs3 17.1(8) 2_665 2_665 ?
Cs2 Cs5 Cs3 58.4(13) . 2_665 ?
Cs6 Cs5 Cs3 153(3) 4_656 2_665 ?
Cs6 Cs5 Cs3 156(3) 3_566 2_665 ?
Cs5 Cs5 Cs5 85.8(8) 2_665 3_566 ?
Cs4 Cs5 Cs5 172(5) 2_665 3_566 ?
Cs6 Cs5 Cs5 10(4) 2_665 3_566 ?
Cs4 Cs5 Cs5 146(3) . 3_566 ?
Cs6 Cs5 Cs5 19(3) . 3_566 ?
Cs2 Cs5 Cs5 166(2) 2_665 3_566 ?
Cs2 Cs5 Cs5 148(2) . 3_566 ?
Cs6 Cs5 Cs5 1.1(19) 4_656 3_566 ?
Cs6 Cs5 Cs5 10.4(17) 3_566 3_566 ?
Cs3 Cs5 Cs5 153.2(19) 2_665 3_566 ?
Cs5 Cs5 Cs5 85.8(8) 2_665 4_656 ?
Cs4 Cs5 Cs5 179(4) 2_665 4_656 ?
Cs6 Cs5 Cs5 2(4) 2_665 4_656 ?
Cs4 Cs5 Cs5 145(3) . 4_656 ?
Cs6 Cs5 Cs5 21(3) . 4_656 ?
Cs2 Cs5 Cs5 169(2) 2_665 4_656 ?
Cs2 Cs5 Cs5 147(2) . 4_656 ?
Cs6 Cs5 Cs5 9.5(18) 4_656 4_656 ?
Cs6 Cs5 Cs5 5(2) 3_566 4_656 ?
Cs3 Cs5 Cs5 152(2) 2_665 4_656 ?
Cs5 Cs5 Cs5 8.5(16) 3_566 4_656 ?
Cs6 Cs6 Cs5 90(5) 2_665 2_665 ?
Cs6 Cs6 Cs5 67(4) 2_665 . ?
Cs5 Cs6 Cs5 25(5) 2_665 . ?
Cs6 Cs6 Cs6 79(3) 2_665 4_656 ?
Cs5 Cs6 Cs6 168(8) 2_665 4_656 ?
Cs5 Cs6 Cs6 143(6) . 4_656 ?
Cs6 Cs6 Cs6 79(3) 2_665 3_566 ?
Cs5 Cs6 Cs6 160(8) 2_665 3_566 ?
Cs5 Cs6 Cs6 146(7) . 3_566 ?
Cs6 Cs6 Cs6 21(6) 4_656 3_566 ?
Cs6 Cs6 Cs4 91(3) 2_665 . ?
Cs5 Cs6 Cs4 1(4) 2_665 . ?
Cs5 Cs6 Cs4 26(2) . . ?
Cs6 Cs6 Cs4 169(6) 4_656 . ?
Cs6 Cs6 Cs4 161(6) 3_566 . ?
Cs6 Cs6 Cs4 77(3) 2_665 2_665 ?
Cs5 Cs6 Cs4 17(3) 2_665 2_665 ?
Cs5 Cs6 Cs4 9(3) . 2_665 ?
Cs6 Cs6 Cs4 151(5) 4_656 2_665 ?
Cs6 Cs6 Cs4 155(6) 3_566 2_665 ?
Cs4 Cs6 Cs4 18.5(12) . 2_665 ?
Cs6 Cs6 Cs5 87(3) 2_665 3_566 ?
Cs5 Cs6 Cs5 177(6) 2_665 3_566 ?
Cs5 Cs6 Cs5 152(5) . 3_566 ?
Cs6 Cs6 Cs5 9(4) 4_656 3_566 ?
Cs6 Cs6 Cs5 18(3) 3_566 3_566 ?
Cs4 Cs6 Cs5 178(4) . 3_566 ?
Cs4 Cs6 Cs5 160(4) 2_665 3_566 ?
Cs6 Cs6 Cs5 82(3) 2_665 4_656 ?
Cs5 Cs6 Cs5 166(7) 2_665 4_656 ?
Cs5 Cs6 Cs5 149(5) . 4_656 ?
Cs6 Cs6 Cs5 16(3) 4_656 4_656 ?
Cs6 Cs6 Cs5 6(4) 3_566 4_656 ?
Cs4 Cs6 Cs5 166(4) . 4_656 ?
Cs4 Cs6 Cs5 158(4) 2_665 4_656 ?
Cs5 Cs6 Cs5 12(2) 3_566 4_656 ?
Cs6 Cs6 Cs2 98(3) 2_665 . ?
Cs5 Cs6 Cs2 9(4) 2_665 . ?
Cs5 Cs6 Cs2 34(3) . . ?
Cs6 Cs6 Cs2 176(5) 4_656 . ?
Cs6 Cs6 Cs2 160(5) 3_566 . ?
Cs4 Cs6 Cs2 7.3(8) . . ?
Cs4 Cs6 Cs2 25.6(9) 2_665 . ?
Cs5 Cs6 Cs2 174(3) 3_566 . ?
Cs5 Cs6 Cs2 166(3) 4_656 . ?
Cs6 Cs6 Cs2 74(3) 2_665 2_665 ?
Cs5 Cs6 Cs2 21(4) 2_665 2_665 ?
Cs5 Cs6 Cs2 8(3) . 2_665 ?
Cs6 Cs6 Cs2 147(5) 4_656 2_665 ?
Cs6 Cs6 Cs2 153(5) 3_566 2_665 ?
Cs4 Cs6 Cs2 22.2(10) . 2_665 ?
Cs4 Cs6 Cs2 3.7(10) 2_665 2_665 ?
Cs5 Cs6 Cs2 156(3) 3_566 2_665 ?
Cs5 Cs6 Cs2 156(3) 4_656 2_665 ?
Cs2 Cs6 Cs2 29.3(6) . 2_665 ?
Cs6 Cs6 Cs4 89.6(19) 2_665 4_656 ?
Cs5 Cs6 Cs4 179(6) 2_665 4_656 ?
Cs5 Cs6 Cs4 155(4) . 4_656 ?
Cs6 Cs6 Cs4 12(4) 4_656 4_656 ?
Cs6 Cs6 Cs4 19(4) 3_566 4_656 ?
Cs4 Cs6 Cs4 179(3) . 4_656 ?
Cs4 Cs6 Cs4 163(3) 2_665 4_656 ?
Cs5 Cs6 Cs4 2.9(16) 3_566 4_656 ?
Cs5 Cs6 Cs4 13.1(13) 4_656 4_656 ?
Cs2 Cs6 Cs4 172(2) . 4_656 ?
Cs2 Cs6 Cs4 159(2) 2_665 4_656 ?
Cs1 Cs7 Cs3 37(3) . . ?
Cs1 Cs7 Cs1 144(6) . 8 ?
Cs3 Cs7 Cs1 173(5) . 8 ?
Cs1 Cs7 Cs2 51(3) . . ?
Cs3 Cs7 Cs2 14.2(14) . . ?
Cs1 Cs7 Cs2 161(4) 8 . ?
Cs1 Cs7 Cs7 127(5) . 8 ?
Cs3 Cs7 Cs7 159(5) . 8 ?
Cs1 Cs7 Cs7 17(2) 8 8 ?
Cs2 Cs7 Cs7 160(5) . 8 ?
Cs1 Cs7 Cs7 41(5) . 7_455 ?
Cs3 Cs7 Cs7 78(4) . 7_455 ?
Cs1 Cs7 Cs7 104(2) 8 7_455 ?
Cs2 Cs7 Cs7 92(4) . 7_455 ?
Cs7 Cs7 Cs7 89.2(7) 8 7_455 ?
Cs1 Cs7 Cs3 158(6) . 8 ?
Cs3 Cs7 Cs3 165(4) . 8 ?
Cs1 Cs7 Cs3 15.9(8) 8 8 ?
Cs2 Cs7 Cs3 151(3) . 8 ?
Cs7 Cs7 Cs3 33(2) 8 8 ?
Cs7 Cs7 Cs3 118(3) 7_455 8 ?
Cs1 Cs7 O2 122(5) . 2_665 ?
Cs3 Cs7 O2 96(3) . 2_665 ?
Cs1 Cs7 O2 88(3) 8 2_665 ?
Cs2 Cs7 O2 88(2) . 2_665 ?
Cs7 Cs7 O2 105(4) 8 2_665 ?
Cs7 Cs7 O2 136(4) 7_455 2_665 ?
Cs3 Cs7 O2 72.6(18) 8 2_665 ?
Cs1 Cs7 Cs4 53(4) . . ?
Cs3 Cs7 Cs4 19.6(17) . . ?
Cs1 Cs7 Cs4 154(3) 8 . ?
Cs2 Cs7 Cs4 9.4(6) . . ?
Cs7 Cs7 Cs4 151(4) 8 . ?
Cs7 Cs7 Cs4 93(4) 7_455 . ?
Cs3 Cs7 Cs4 147(3) 8 . ?
O2 Cs7 Cs4 93(2) 2_665 . ?
Cs1 Cs7 Cs1 53(4) . 7_455 ?
Cs3 Cs7 Cs1 90(3) . 7_455 ?
Cs1 Cs7 Cs1 91(2) 8 7_455 ?
Cs2 Cs7 Cs1 104(2) . 7_455 ?
Cs7 Cs7 Cs1 76.3(14) 8 7_455 ?
Cs7 Cs7 Cs1 12.9(14) 7_455 7_455 ?
Cs3 Cs7 Cs1 105(2) 8 7_455 ?
O2 Cs7 Cs1 139(2) 2_665 7_455 ?
Cs4 Cs7 Cs1 105(2) . 7_455 ?
Cs1 Cs7 Cs4 53(4) . 2_665 ?
Cs3 Cs7 Cs4 16.9(18) . 2_665 ?
Cs1 Cs7 Cs4 158(3) 8 2_665 ?
Cs2 Cs7 Cs4 4.7(7) . 2_665 ?
Cs7 Cs7 Cs4 156(4) 8 2_665 ?
Cs7 Cs7 Cs4 93(3) 7_455 2_665 ?
Cs3 Cs7 Cs4 149(3) 8 2_665 ?
O2 Cs7 Cs4 89.7(19) 2_665 2_665 ?
Cs4 Cs7 Cs4 4.7(4) . 2_665 ?
Cs1 Cs7 Cs4 105(2) 7_455 2_665 ?
Cs1 Cs7 Cs2 52(4) . 2_665 ?
Cs3 Cs7 Cs2 15.5(18) . 2_665 ?
Cs1 Cs7 Cs2 164(3) 8 2_665 ?
Cs2 Cs7 Cs2 8.6(6) . 2_665 ?
Cs7 Cs7 Cs2 169(4) 8 2_665 ?
Cs7 Cs7 Cs2 92(3) 7_455 2_665 ?
Cs3 Cs7 Cs2 149(3) 8 2_665 ?
O2 Cs7 Cs2 81.4(17) 2_665 2_665 ?
Cs4 Cs7 Cs2 17.8(6) . 2_665 ?
Cs1 Cs7 Cs2 105(2) 7_455 2_665 ?
Cs4 Cs7 Cs2 13.1(5) 2_665 2_665 ?
O2 Ge1 O1 115.6(2) . 4_655 ?
O2 Ge1 O3 112.2(2) . . ?
O1 Ge1 O3 100.7(2) 4_655 . ?
O2 Ge1 O1 108.4(2) . . ?
O1 Ge1 O1 109.8(3) 4_655 . ?
O3 Ge1 O1 109.94(18) . . ?
O2 Ge1 Cs6 70.6(4) . 7 ?
O1 Ge1 Cs6 65.6(6) 4_655 7 ?
O3 Ge1 Cs6 76.5(5) . 7 ?
O1 Ge1 Cs6 173.1(6) . 7 ?
O2 Ge1 Cs5 60.5(5) . 8_645 ?
O1 Ge1 Cs5 72.1(5) 4_655 8_645 ?
O3 Ge1 Cs5 82.0(4) . 8_645 ?
O1 Ge1 Cs5 166.8(5) . 8_645 ?
Cs6 Ge1 Cs5 10.0(4) 7 8_645 ?
O2 Ge1 Cs6 81.8(4) . 5_544 ?
O1 Ge1 Cs6 60.8(6) 4_655 5_544 ?
O3 Ge1 Cs6 68.6(5) . 5_544 ?
O1 Ge1 Cs6 169.0(5) . 5_544 ?
Cs6 Ge1 Cs6 11.6(7) 7 5_544 ?
Cs5 Ge1 Cs6 21.5(7) 8_645 5_544 ?
O2 Ge1 Cs7 32.0(10) . 2_665 ?
O1 Ge1 Cs7 89.2(10) 4_655 2_665 ?
O3 Ge1 Cs7 138.9(10) . 2_665 ?
O1 Ge1 Cs7 103.6(9) . 2_665 ?
Cs6 Ge1 Cs7 71.7(10) 7 2_665 ?
Cs5 Ge1 Cs7 63.2(10) 8_645 2_665 ?
Cs6 Ge1 Cs7 82.7(10) 5_544 2_665 ?
O2 Ge1 Cs5 60.9(5) . 7 ?
O1 Ge1 Cs5 75.1(5) 4_655 7 ?
O3 Ge1 Cs5 78.2(4) . 7 ?
O1 Ge1 Cs5 168.9(5) . 7 ?
Cs6 Ge1 Cs5 10.5(4) 7 7 ?
Cs5 Ge1 Cs5 4.3(8) 8_645 7 ?
Cs6 Ge1 Cs5 21.0(7) 5_544 7 ?
Cs7 Ge1 Cs5 66.0(10) 2_665 7 ?
O2 Ge1 Cs6 70.5(4) . 8_645 ?
O1 Ge1 Cs6 68.0(5) 4_655 8_645 ?
O3 Ge1 Cs6 73.9(6) . 8_645 ?
O1 Ge1 Cs6 176.1(6) . 8_645 ?
Cs6 Ge1 Cs6 3.0(12) 7 8_645 ?
Cs5 Ge1 Cs6 10.6(4) 8_645 8_645 ?
Cs6 Ge1 Cs6 11.3(7) 5_544 8_645 ?
Cs7 Ge1 Cs6 73.3(10) 2_665 8_645 ?
Cs5 Ge1 Cs6 9.7(4) 7 8_645 ?
O2 Ge1 Cs4 51.7(4) . 7 ?
O1 Ge1 Cs4 77.9(3) 4_655 7 ?
O3 Ge1 Cs4 87.3(3) . 7 ?
O1 Ge1 Cs4 158.6(4) . 7 ?
Cs6 Ge1 Cs4 18.9(4) 7 7 ?
Cs5 Ge1 Cs4 8.9(4) 8_645 7 ?
Cs6 Ge1 Cs4 30.4(6) 5_544 7 ?
Cs7 Ge1 Cs4 55.7(10) 2_665 7 ?
Cs5 Ge1 Cs4 10.4(3) 7 7 ?
Cs6 Ge1 Cs4 19.3(5) 8_645 7 ?
O2 Ge1 Cs7 136.4(9) . 5_544 ?
O1 Ge1 Cs7 46.7(9) 4_655 5_544 ?
O3 Ge1 Cs7 54.7(10) . 5_544 ?
O1 Ge1 Cs7 115.1(9) . 5_544 ?
Cs6 Ge1 Cs7 66.0(9) 7 5_544 ?
Cs5 Ge1 Cs7 76.0(10) 8_645 5_544 ?
Cs6 Ge1 Cs7 54.6(10) 5_544 5_544 ?
Cs7 Ge1 Cs7 128.1(4) 2_665 5_544 ?
Cs5 Ge1 Cs7 75.6(10) 7 5_544 ?
Cs6 Ge1 Cs7 65.9(9) 8_645 5_544 ?
Cs4 Ge1 Cs7 84.9(10) 7 5_544 ?
O2 Co1 O2 104.9(2) . 2_655 ?
O2 Co1 O2 111.82(12) . 7 ?
O2 Co1 O2 111.82(12) 2_655 7 ?
O2 Co1 O2 111.82(12) . 8_545 ?
O2 Co1 O2 111.82(12) 2_655 8_545 ?
O2 Co1 O2 104.9(2) 7 8_545 ?
O2 Co1 Cs7 40.0(10) . 2_665 ?
O2 Co1 Cs7 144.2(10) 2_655 2_665 ?
O2 Co1 Cs7 84.5(10) 7 2_665 ?
O2 Co1 Cs7 92.9(10) 8_545 2_665 ?
O2 Co1 Cs7 144.2(10) . 1_545 ?
O2 Co1 Cs7 40.0(10) 2_655 1_545 ?
O2 Co1 Cs7 92.9(10) 7 1_545 ?
O2 Co1 Cs7 84.5(10) 8_545 1_545 ?
Cs7 Co1 Cs7 175.8(19) 2_665 1_545 ?
O2 Co1 Cs7 84.5(10) . 7_455 ?
O2 Co1 Cs7 92.9(10) 2_655 7_455 ?
O2 Co1 Cs7 144.2(10) 7 7_455 ?
O2 Co1 Cs7 40.0(10) 8_545 7_455 ?
Cs7 Co1 Cs7 90.08(7) 2_665 7_455 ?
Cs7 Co1 Cs7 90.08(7) 1_545 7_455 ?
O2 Co1 Cs7 92.9(10) . 8_645 ?
O2 Co1 Cs7 84.5(10) 2_655 8_645 ?
O2 Co1 Cs7 40.0(10) 7 8_645 ?
O2 Co1 Cs7 144.2(10) 8_545 8_645 ?
Cs7 Co1 Cs7 90.08(7) 2_665 8_645 ?
Cs7 Co1 Cs7 90.08(7) 1_545 8_645 ?
Cs7 Co1 Cs7 175.8(19) 7_455 8_645 ?
O2 Co1 Cs2 58.2(2) . 2_665 ?
O2 Co1 Cs2 149.96(15) 2_655 2_665 ?
O2 Co1 Cs2 97.97(13) 7 2_665 ?
O2 Co1 Cs2 61.5(2) 8_545 2_665 ?
Cs7 Co1 Cs2 32.0(10) 2_665 2_665 ?
Cs7 Co1 Cs2 145.9(10) 1_545 2_665 ?
Cs7 Co1 Cs2 62.7(10) 7_455 2_665 ?
Cs7 Co1 Cs2 118.6(10) 8_645 2_665 ?
O2 Co1 Cs2 97.97(13) . 7_455 ?
O2 Co1 Cs2 61.5(2) 2_655 7_455 ?
O2 Co1 Cs2 149.96(15) 7 7_455 ?
O2 Co1 Cs2 58.2(2) 8_545 7_455 ?
Cs7 Co1 Cs2 118.6(10) 2_665 7_455 ?
Cs7 Co1 Cs2 62.7(10) 1_545 7_455 ?
Cs7 Co1 Cs2 32.0(10) 7_455 7_455 ?
Cs7 Co1 Cs2 145.9(10) 8_645 7_455 ?
Cs2 Co1 Cs2 94.41(7) 2_665 7_455 ?
O2 Co1 Cs2 149.96(15) . 1_545 ?
O2 Co1 Cs2 58.2(2) 2_655 1_545 ?
O2 Co1 Cs2 61.5(2) 7 1_545 ?
O2 Co1 Cs2 97.97(13) 8_545 1_545 ?
Cs7 Co1 Cs2 145.9(10) 2_665 1_545 ?
Cs7 Co1 Cs2 32.0(10) 1_545 1_545 ?
Cs7 Co1 Cs2 118.6(10) 7_455 1_545 ?
Cs7 Co1 Cs2 62.7(10) 8_645 1_545 ?
Cs2 Co1 Cs2 147.8(3) 2_665 1_545 ?
Cs2 Co1 Cs2 94.41(7) 7_455 1_545 ?
O2 Co1 Cs2 61.5(2) . 8_645 ?
O2 Co1 Cs2 97.97(13) 2_655 8_645 ?
O2 Co1 Cs2 58.2(2) 7 8_645 ?
O2 Co1 Cs2 149.96(15) 8_545 8_645 ?
Cs7 Co1 Cs2 62.7(10) 2_665 8_645 ?
Cs7 Co1 Cs2 118.6(10) 1_545 8_645 ?
Cs7 Co1 Cs2 145.9(10) 7_455 8_645 ?
Cs7 Co1 Cs2 32.0(10) 8_645 8_645 ?
Cs2 Co1 Cs2 94.41(7) 2_665 8_645 ?
Cs2 Co1 Cs2 147.8(3) 7_455 8_645 ?
Cs2 Co1 Cs2 94.41(7) 1_545 8_645 ?
Ge1 O1 Ge1 132.9(3) 3_565 . ?
Ge1 O1 Cs7 108.5(12) 3_565 7_455 ?
Ge1 O1 Cs7 118.5(12) . 7_455 ?
Ge1 O1 Cs5 99.5(6) 3_565 8_545 ?
Ge1 O1 Cs5 107.4(6) . 8_545 ?
Cs7 O1 Cs5 57.5(13) 7_455 8_545 ?
Ge1 O1 Cs1 104.2(2) 3_565 . ?
Ge1 O1 Cs1 113.3(2) . . ?
Cs7 O1 Cs1 33.0(12) 7_455 . ?
Cs5 O1 Cs1 90.5(5) 8_545 . ?
Ge1 O1 Cs6 91.9(7) 3_565 7_455 ?
Ge1 O1 Cs6 107.4(7) . 7_455 ?
Cs7 O1 Cs6 68.0(13) 7_455 7_455 ?
Cs5 O1 Cs6 11.5(4) 8_545 7_455 ?
Cs1 O1 Cs6 100.7(4) . 7_455 ?
Ge1 O1 Cs4 106.0(4) 3_565 7_455 ?
Ge1 O1 Cs4 107.2(4) . 7_455 ?
Cs7 O1 Cs4 47.7(12) 7_455 7_455 ?
Cs5 O1 Cs4 10.7(4) 8_545 7_455 ?
Cs1 O1 Cs4 80.7(4) . 7_455 ?
Cs6 O1 Cs4 22.1(5) 7_455 7_455 ?
Ge1 O1 Cs3 106.6(4) 3_565 7_455 ?
Ge1 O1 Cs3 117.1(5) . 7_455 ?
Cs7 O1 Cs3 24.3(12) 7_455 7_455 ?
Cs5 O1 Cs3 33.2(6) 8_545 7_455 ?
Cs1 O1 Cs3 57.3(4) . 7_455 ?
Cs6 O1 Cs3 43.8(5) 7_455 7_455 ?
Cs4 O1 Cs3 23.6(5) 7_455 7_455 ?
Ge1 O1 Cs6 86.2(7) 3_565 6_554 ?
Ge1 O1 Cs6 102.9(8) . 6_554 ?
Cs7 O1 Cs6 81.0(12) 7_455 6_554 ?
Cs5 O1 Cs6 24.3(8) 8_545 6_554 ?
Cs1 O1 Cs6 113.6(4) . 6_554 ?
Cs6 O1 Cs6 13.1(7) 7_455 6_554 ?
Cs4 O1 Cs6 34.9(6) 7_455 6_554 ?
Cs3 O1 Cs6 56.9(5) 7_455 6_554 ?
Ge1 O1 Cs2 110.23(18) 3_565 7_455 ?
Ge1 O1 Cs2 108.9(2) . 7_455 ?
Cs7 O1 Cs2 36.6(12) 7_455 7_455 ?
Cs5 O1 Cs2 22.0(5) 8_545 7_455 ?
Cs1 O1 Cs2 69.5(2) . 7_455 ?
Cs6 O1 Cs2 33.3(4) 7_455 7_455 ?
Cs4 O1 Cs2 11.5(4) 7_455 7_455 ?
Cs3 O1 Cs2 13.2(3) 7_455 7_455 ?
Cs6 O1 Cs2 46.3(4) 6_554 7_455 ?
Ge1 O1 Cs1 101.05(17) 3_565 7_455 ?
Ge1 O1 Cs1 125.60(19) . 7_455 ?
Cs7 O1 Cs1 13.1(12) 7_455 7_455 ?
Cs5 O1 Cs1 46.8(5) 8_545 7_455 ?
Cs1 O1 Cs1 44.30(12) . 7_455 ?
Cs6 O1 Cs1 56.5(4) 7_455 7_455 ?
Cs4 O1 Cs1 38.1(4) 7_455 7_455 ?
Cs3 O1 Cs1 14.9(4) 7_455 7_455 ?
Cs6 O1 Cs1 69.3(4) 6_554 7_455 ?
Cs2 O1 Cs1 28.2(2) 7_455 7_455 ?
Ge1 O1 Cs6 95.3(5) 3_565 8_545 ?
Ge1 O1 Cs6 103.0(7) . 8_545 ?
Cs7 O1 Cs6 69.4(13) 7_455 8_545 ?
Cs5 O1 Cs6 11.9(4) 8_545 8_545 ?
Cs1 O1 Cs6 102.4(5) . 8_545 ?
Cs6 O1 Cs6 4.4(13) 7_455 8_545 ?
Cs4 O1 Cs6 22.3(5) 7_455 8_545 ?
Cs3 O1 Cs6 45.1(6) 7_455 8_545 ?
Cs6 O1 Cs6 12.9(8) 6_554 8_545 ?
Cs2 O1 Cs6 33.8(5) 7_455 8_545 ?
Cs1 O1 Cs6 58.5(6) 7_455 8_545 ?
Ge1 O2 Co1 120.6(2) . . ?
Ge1 O2 Cs7 126.9(14) . 2_665 ?
Co1 O2 Cs7 110.1(14) . 2_665 ?
Ge1 O2 Cs3 121.4(4) . 7 ?
Co1 O2 Cs3 104.4(4) . 7 ?
Cs7 O2 Cs3 53.1(15) 2_665 7 ?
Ge1 O2 Cs3 120.5(4) . 2_665 ?
Co1 O2 Cs3 101.7(5) . 2_665 ?
Cs7 O2 Cs3 27.4(14) 2_665 2_665 ?
Cs3 O2 Cs3 80.2(8) 7 2_665 ?
Ge1 O2 Cs1 119.08(19) . 2_665 ?
Co1 O2 Cs1 112.87(17) . 2_665 ?
Cs7 O2 Cs1 13.3(14) 2_665 2_665 ?
Cs3 O2 Cs1 65.9(5) 7 2_665 ?
Cs3 O2 Cs1 16.8(4) 2_665 2_665 ?
Ge1 O2 Cs1 124.7(2) . 7 ?
Co1 O2 Cs1 110.26(15) . 7 ?
Cs7 O2 Cs1 36.6(14) 2_665 7 ?
Cs3 O2 Cs1 16.8(4) 7 7 ?
Cs3 O2 Cs1 63.9(4) 2_665 7 ?
Cs1 O2 Cs1 49.16(14) 2_665 7 ?
Ge1 O2 Cs2 114.3(3) . 7 ?
Co1 O2 Cs2 100.65(16) . 7 ?
Cs7 O2 Cs2 67.4(14) 2_665 7 ?
Cs3 O2 Cs2 14.3(4) 7 7 ?
Cs3 O2 Cs2 94.4(5) 2_665 7 ?
Cs1 O2 Cs2 80.1(3) 2_665 7 ?
Cs1 O2 Cs2 31.0(2) 7 7 ?
Ge1 O2 Cs2 121.9(2) . 2_665 ?
Co1 O2 Cs2 90.3(2) . 2_665 ?
Cs7 O2 Cs2 40.0(14) 2_665 2_665 ?
Cs3 O2 Cs2 90.9(6) 7 2_665 ?
Cs3 O2 Cs2 14.1(4) 2_665 2_665 ?
Cs1 O2 Cs2 30.75(19) 2_665 2_665 ?
Cs1 O2 Cs2 75.4(2) 7 2_665 ?
Cs2 O2 Cs2 104.8(4) 7 2_665 ?
Ge1 O2 Cs4 103.4(5) . 7 ?
Co1 O2 Cs4 103.4(4) . 7 ?
Cs7 O2 Cs4 77.9(15) 2_665 7 ?
Cs3 O2 Cs4 25.5(5) 7 7 ?
Cs3 O2 Cs4 105.3(6) 2_665 7 ?
Cs1 O2 Cs4 90.1(4) 2_665 7 ?
Cs1 O2 Cs4 41.4(4) 7 7 ?
Cs2 O2 Cs4 12.2(4) 7 7 ?
Cs2 O2 Cs4 116.4(5) 2_665 7 ?
Ge1 O2 Cs4 103.3(5) . 8_645 ?
Co1 O2 Cs4 97.3(4) . 8_645 ?
Cs7 O2 Cs4 83.9(14) 2_665 8_645 ?
Cs3 O2 Cs4 30.9(5) 7 8_645 ?
Cs3 O2 Cs4 111.1(5) 2_665 8_645 ?
Cs1 O2 Cs4 96.5(3) 2_665 8_645 ?
Cs1 O2 Cs4 47.4(3) 7 8_645 ?
Cs2 O2 Cs4 16.7(3) 7 8_645 ?
Cs2 O2 Cs4 121.4(4) 2_665 8_645 ?
Cs4 O2 Cs4 7.4(5) 7 8_645 ?
Ge1 O2 Cs2 113.7(2) . 8_645 ?
Co1 O2 Cs2 87.0(3) . 8_645 ?
Cs7 O2 Cs2 82.2(14) 2_665 8_645 ?
Cs3 O2 Cs2 30.3(5) 7 8_645 ?
Cs3 O2 Cs2 108.0(4) 2_665 8_645 ?
Cs1 O2 Cs2 95.40(15) 2_665 8_645 ?
Cs1 O2 Cs2 46.91(15) 7 8_645 ?
Cs2 O2 Cs2 17.5(3) 7 8_645 ?
Cs2 O2 Cs2 116.07(17) 2_665 8_645 ?
Cs4 O2 Cs2 16.4(3) 7 8_645 ?
Cs4 O2 Cs2 11.8(4) 8_645 8_645 ?
Ge1 O3 Ge1 122.9(3) . 2_655 ?
Ge1 O3 Cs1 117.35(13) . 6_554 ?
Ge1 O3 Cs1 109.84(12) 2_655 6_554 ?
Ge1 O3 Cs1 109.84(12) . 5_544 ?
Ge1 O3 Cs1 117.35(13) 2_655 5_544 ?
Cs1 O3 Cs1 66.63(17) 6_554 5_544 ?
Ge1 O3 Cs7 131.7(11) . 6_554 ?
Ge1 O3 Cs7 99.1(11) 2_655 6_554 ?
Cs1 O3 Cs7 14.7(11) 6_554 6_554 ?
Cs1 O3 Cs7 61.9(11) 5_544 6_554 ?
Ge1 O3 Cs7 99.1(11) . 5_544 ?
Ge1 O3 Cs7 131.7(11) 2_655 5_544 ?
Cs1 O3 Cs7 61.9(11) 6_554 5_544 ?
Cs1 O3 Cs7 14.7(11) 5_544 5_544 ?
Cs7 O3 Cs7 61(2) 6_554 5_544 ?
Ge1 O3 Cs3 114.6(4) . 6_554 ?
Ge1 O3 Cs3 103.0(4) 2_655 6_554 ?
Cs1 O3 Cs3 14.6(4) 6_554 6_554 ?
Cs1 O3 Cs3 81.2(4) 5_544 6_554 ?
Cs7 O3 Cs3 23.6(11) 6_554 6_554 ?
Cs7 O3 Cs3 76.2(12) 5_544 6_554 ?
Ge1 O3 Cs3 103.0(4) . 5_544 ?
Ge1 O3 Cs3 114.6(4) 2_655 5_544 ?
Cs1 O3 Cs3 81.2(4) 6_554 5_544 ?
Cs1 O3 Cs3 14.6(4) 5_544 5_544 ?
Cs7 O3 Cs3 76.2(12) 6_554 5_544 ?
Cs7 O3 Cs3 23.6(11) 5_544 5_544 ?
Cs3 O3 Cs3 95.7(8) 6_554 5_544 ?
Ge1 O3 Cs7 139.8(10) . 3 ?
Ge1 O3 Cs7 94.5(10) 2_655 3 ?
Cs1 O3 Cs7 52.0(11) 6_554 3 ?
Cs1 O3 Cs7 31.1(10) 5_544 3 ?
Cs7 O3 Cs7 40.7(12) 6_554 3 ?
Cs7 O3 Cs7 40.7(12) 5_544 3 ?
Cs3 O3 Cs7 64.2(11) 6_554 3 ?
Cs3 O3 Cs7 41.8(11) 5_544 3 ?
Ge1 O3 Cs7 94.5(10) . 4_655 ?
Ge1 O3 Cs7 139.8(10) 2_655 4_655 ?
Cs1 O3 Cs7 31.1(10) 6_554 4_655 ?
Cs1 O3 Cs7 52.0(11) 5_544 4_655 ?
Cs7 O3 Cs7 40.7(12) 6_554 4_655 ?
Cs7 O3 Cs7 40.7(12) 5_544 4_655 ?
Cs3 O3 Cs7 41.8(11) 6_554 4_655 ?
Cs3 O3 Cs7 64.2(11) 5_544 4_655 ?
Cs7 O3 Cs7 57(2) 3 4_655 ?
Ge1 O3 Cs6 96.6(7) . 6_554 ?
Ge1 O3 Cs6 83.9(6) 2_655 6_554 ?
Cs1 O3 Cs6 56.2(4) 6_554 6_554 ?
Cs1 O3 Cs6 122.8(4) 5_544 6_554 ?
Cs7 O3 Cs6 62.7(12) 6_554 6_554 ?
Cs7 O3 Cs6 116.4(11) 5_544 6_554 ?
Cs3 O3 Cs6 41.6(5) 6_554 6_554 ?
Cs3 O3 Cs6 137.3(6) 5_544 6_554 ?
Cs7 O3 Cs6 102.2(12) 3 6_554 ?
Cs7 O3 Cs6 76.9(12) 4_655 6_554 ?
Ge1 O3 Cs6 83.9(6) . 5_544 ?
Ge1 O3 Cs6 96.6(7) 2_655 5_544 ?
Cs1 O3 Cs6 122.8(4) 6_554 5_544 ?
Cs1 O3 Cs6 56.2(4) 5_544 5_544 ?
Cs7 O3 Cs6 116.4(11) 6_554 5_544 ?
Cs7 O3 Cs6 62.7(12) 5_544 5_544 ?
Cs3 O3 Cs6 137.3(6) 6_554 5_544 ?
Cs3 O3 Cs6 41.6(5) 5_544 5_544 ?
Cs7 O3 Cs6 76.9(12) 3 5_544 ?
Cs7 O3 Cs6 102.2(12) 4_655 5_544 ?
Cs6 O3 Cs6 179.0(8) 6_554 5_544 ?

_refine_diff_density_max         0.712
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.138

