# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2015

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1007298'
_audit_update_record             
;
2014-06-08 deposited with the CCDC.
2015-03-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cs6 O16 P4 Y2'
_chemical_formula_weight         1355.16
_chemical_absolute_configuration ad

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)

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

_cell_length_a                   10.1897(5)
_cell_length_b                   10.3703(5)
_cell_length_c                   10.5504(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.526(3)
_cell_angle_gamma                90.00
_cell_volume                     1063.11(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3950
_cell_measurement_theta_min      3.86
_cell_measurement_theta_max      26.42

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.119
_exptl_crystal_size_mid          0.105
_exptl_crystal_size_min          0.071
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1192
_exptl_absorpt_coefficient_mu    15.923
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.7626
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   face-indexed

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13402
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0555
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.02
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3701
_reflns_number_gt                3393
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.018(8)
_refine_ls_number_reflns         3701
_refine_ls_number_parameters     253
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0277
_refine_ls_wR_factor_ref         0.0468
_refine_ls_wR_factor_gt          0.0450
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_restrained_S_all      0.965
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 1.00928(6) 0.18867(6) 0.29087(6) 0.02005(16) Uani 1 1 d . . .
Cs2 Cs 0.96605(6) 0.03651(6) -0.16401(6) 0.02263(16) Uani 1 1 d . . .
Cs3 Cs 0.72451(7) 0.16569(6) 0.48343(7) 0.02524(18) Uani 1 1 d . . .
Cs4 Cs 1.48100(6) 0.08890(6) 0.72267(6) 0.02239(17) Uani 1 1 d . . .
Cs5 Cs 1.27519(7) 0.24534(7) 0.06455(6) 0.02574(17) Uani 1 1 d . . .
Cs6 Cs 0.66720(6) 0.28717(6) 0.04538(6) 0.02135(16) Uani 1 1 d . . .
Y1 Y 1.34383(9) -0.02185(9) 0.33807(9) 0.0100(2) Uani 1 1 d . . .
Y2 Y 0.84219(9) -0.16621(9) 0.33818(9) 0.0106(2) Uani 1 1 d . . .
P1 P 1.0984(2) -0.1432(2) 0.1494(2) 0.0108(6) Uani 1 1 d . . .
P2 P 1.3629(2) 0.3224(2) 0.4255(2) 0.0103(6) Uani 1 1 d . . .
P3 P 0.8675(2) 0.4886(2) 0.4231(2) 0.0117(6) Uani 1 1 d . . .
P4 P 0.6018(3) -0.0372(2) 0.1546(3) 0.0116(6) Uani 1 1 d . . .
O1 O 1.5057(6) 0.3787(6) 0.4992(7) 0.0175(16) Uani 1 1 d . . .
O2 O 1.2912(6) 0.4070(6) 0.3074(6) 0.0217(17) Uani 1 1 d . . .
O3 O 1.3866(6) 0.1872(6) 0.3774(6) 0.0150(15) Uani 1 1 d . . .
O4 O 1.2797(6) 0.3130(6) 0.5225(6) 0.0194(16) Uani 1 1 d . . .
O5 O 1.0113(6) 0.4376(7) 0.5001(7) 0.0202(16) Uani 1 1 d . . .
O6 O 0.8871(7) 0.6272(6) 0.3767(6) 0.0214(17) Uani 1 1 d . . .
O7 O 0.8014(6) 0.4043(6) 0.3048(7) 0.0253(18) Uani 1 1 d . . .
O8 O 0.7797(6) 0.4918(6) 0.5191(6) 0.0173(16) Uani 1 1 d . . .
O9 O 0.7339(6) 0.0278(6) 0.2440(6) 0.0144(15) Uani 1 1 d . . .
O10 O 0.5674(6) 0.0038(6) 0.0114(6) 0.0231(17) Uani 1 1 d . . .
O11 O 0.4802(6) -0.0087(7) 0.2088(6) 0.0200(17) Uani 1 1 d . . .
O12 O 0.6362(6) -0.1844(6) 0.1687(6) 0.0151(16) Uani 1 1 d . . .
O13 O 0.9766(6) -0.1620(6) 0.2064(6) 0.0163(16) Uani 1 1 d . . .
O14 O 1.1417(6) 0.0005(6) 0.1550(6) 0.0120(15) Uani 1 1 d . . .
O15 O 1.2291(6) -0.2100(6) 0.2435(6) 0.0138(14) Uani 1 1 d . . .
O16 O 1.0585(5) -0.1981(6) 0.0096(6) 0.0151(15) Uani 1 1 d . . .


_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 O14 2.974(6) . ?
Cs1 O7 3.114(7) . ?
Cs1 O9 3.173(6) . ?
Cs1 O8 3.196(6) 2_746 ?
Cs1 O16 3.254(6) 2_755 ?
Cs1 O4 3.343(6) . ?
Cs1 O5 3.392(7) . ?
Cs1 O6 3.405(7) 2_746 ?
Cs1 O5 3.459(7) 2_746 ?
Cs1 P3 3.564(3) 2_746 ?
Cs1 O2 3.620(6) . ?
Cs1 O3 3.675(6) . ?
Cs2 O2 2.928(6) 2_745 ?
Cs2 O16 3.020(6) . ?
Cs2 O6 3.191(6) 2_745 ?
Cs2 O13 3.236(6) 2_755 ?
Cs2 O16 3.246(6) 2_755 ?
Cs2 O15 3.250(6) 2_755 ?
Cs2 O14 3.323(6) . ?
Cs2 P1 3.398(3) 2_755 ?
Cs2 O7 3.438(7) 2_745 ?
Cs2 P3 3.659(3) 2_745 ?
Cs2 O5 3.764(7) 2_745 ?
Cs2 Cs1 3.8819(9) 2_745 ?
Cs3 O9 2.929(6) . ?
Cs3 O15 3.060(6) 2_756 ?
Cs3 O1 3.178(6) 1_455 ?
Cs3 O3 3.292(6) 1_455 ?
Cs3 O7 3.343(7) . ?
Cs3 O8 3.430(6) . ?
Cs3 O2 3.508(7) 2_746 ?
Cs3 O5 3.548(7) 2_746 ?
Cs3 O4 3.658(6) 2_746 ?
Cs3 O11 3.677(6) . ?
Cs3 O6 3.806(7) 2_746 ?
Cs3 P2 3.861(3) 2_746 ?
Cs4 O12 3.014(6) 2_756 ?
Cs4 O10 3.036(6) 1_656 ?
Cs4 O2 3.081(6) 2_846 ?
Cs4 O1 3.231(7) 2_846 ?
Cs4 O8 3.240(6) 2_746 ?
Cs4 O4 3.385(6) . ?
Cs4 O7 3.395(6) 2_746 ?
Cs4 O15 3.545(6) 2_856 ?
Cs4 P3 3.573(2) 2_746 ?
Cs4 O6 3.599(7) 2_746 ?
Cs4 O3 3.623(6) . ?
Cs4 P2 3.756(3) 2_846 ?
Cs5 O12 2.957(6) 2_755 ?
Cs5 O2 3.025(7) . ?
Cs5 O14 3.161(6) . ?
Cs5 O3 3.208(6) . ?
Cs5 O16 3.304(5) 2_755 ?
Cs5 O10 3.342(7) 2_755 ?
Cs5 O13 3.355(6) 2_755 ?
Cs5 O11 3.421(6) 1_655 ?
Cs5 P4 3.708(3) 2_755 ?
Cs5 P1 3.969(3) 2_755 ?
Cs5 Cs6 4.0830(9) 1_655 ?
Cs5 Y2 4.1551(11) 2_755 ?
Cs6 O7 2.930(6) . ?
Cs6 O16 3.024(5) 2_755 ?
Cs6 O10 3.095(7) . ?
Cs6 O10 3.203(6) 2_655 ?
Cs6 O12 3.247(6) 2_655 ?
Cs6 O9 3.351(6) . ?
Cs6 O11 3.391(6) 2_655 ?
Cs6 P4 3.435(3) 2_655 ?
Cs6 O15 3.514(6) 2_755 ?
Cs6 P1 3.661(3) 2_755 ?
Cs6 Cs4 3.9407(9) 1_454 ?
Cs6 Cs5 4.0830(9) 1_455 ?
Y1 O1 2.186(6) 2_846 ?
Y1 O3 2.225(6) . ?
Y1 O11 2.225(6) 1_655 ?
Y1 O8 2.240(6) 2_746 ?
Y1 O15 2.338(6) . ?
Y1 O14 2.373(6) . ?
Y1 Cs3 3.9141(11) 2_746 ?
Y1 Cs3 4.1951(11) 1_655 ?
Y1 Cs6 4.4754(11) 2_745 ?
Y1 Cs4 4.5365(11) 2_846 ?
Y2 O5 2.183(6) 2_746 ?
Y2 O4 2.202(6) 2_746 ?
Y2 O6 2.203(6) 1_545 ?
Y2 O13 2.226(6) . ?
Y2 O12 2.319(6) . ?
Y2 O9 2.365(6) . ?
Y2 Cs1 4.0380(11) 2_746 ?
Y2 Cs4 4.0538(11) 2_746 ?
Y2 Cs5 4.1551(11) 2_745 ?
Y2 Cs2 4.3429(11) 2_745 ?
Y2 Cs3 4.5903(11) 2_746 ?
P1 O16 1.517(6) . ?
P1 O13 1.547(6) . ?
P1 O14 1.550(6) . ?
P1 O15 1.563(6) . ?
P1 Cs2 3.398(3) 2_745 ?
P1 Cs6 3.661(3) 2_745 ?
P1 Cs5 3.969(3) 2_745 ?
P1 Cs3 4.241(3) 2_746 ?
P2 O4 1.516(6) . ?
P2 O2 1.518(7) . ?
P2 O3 1.535(6) . ?
P2 O1 1.543(6) . ?
P2 Cs4 3.756(3) 2_856 ?
P2 Cs3 3.861(3) 2_756 ?
P2 Cs3 3.904(2) 1_655 ?
P3 O7 1.506(7) . ?
P3 O8 1.540(6) . ?
P3 O5 1.540(6) . ?
P3 O6 1.550(7) . ?
P3 Cs1 3.564(3) 2_756 ?
P3 Cs4 3.573(2) 2_756 ?
P3 Cs2 3.659(3) 2_755 ?
P4 O10 1.505(7) . ?
P4 O11 1.542(6) . ?
P4 O9 1.546(6) . ?
P4 O12 1.564(6) . ?
P4 Cs6 3.435(3) 2_645 ?
P4 Cs5 3.708(3) 2_745 ?
O1 Y1 2.186(6) 2_856 ?
O1 Cs3 3.178(6) 1_655 ?
O1 Cs4 3.231(7) 2_856 ?
O2 Cs2 2.928(6) 2_755 ?
O2 Cs4 3.081(6) 2_856 ?
O2 Cs3 3.508(7) 2_756 ?
O3 Cs3 3.292(6) 1_655 ?
O4 Y2 2.202(6) 2_756 ?
O4 Cs3 3.658(6) 2_756 ?
O5 Y2 2.183(6) 2_756 ?
O5 Cs1 3.459(7) 2_756 ?
O5 Cs3 3.548(7) 2_756 ?
O5 Cs2 3.764(7) 2_755 ?
O6 Y2 2.203(6) 1_565 ?
O6 Cs2 3.191(6) 2_755 ?
O6 Cs1 3.405(7) 2_756 ?
O6 Cs4 3.599(7) 2_756 ?
O6 Cs3 3.806(7) 2_756 ?
O7 Cs4 3.395(6) 2_756 ?
O7 Cs2 3.438(7) 2_755 ?
O8 Y1 2.240(6) 2_756 ?
O8 Cs1 3.196(6) 2_756 ?
O8 Cs4 3.240(6) 2_756 ?
O10 Cs4 3.036(6) 1_454 ?
O10 Cs6 3.203(6) 2_645 ?
O10 Cs5 3.342(7) 2_745 ?
O11 Y1 2.225(6) 1_455 ?
O11 Cs6 3.391(6) 2_645 ?
O11 Cs5 3.421(6) 1_455 ?
O12 Cs5 2.957(6) 2_745 ?
O12 Cs4 3.014(6) 2_746 ?
O12 Cs6 3.247(6) 2_645 ?
O13 Cs2 3.236(6) 2_745 ?
O13 Cs5 3.355(6) 2_745 ?
O15 Cs3 3.060(6) 2_746 ?
O15 Cs2 3.250(6) 2_745 ?
O15 Cs6 3.514(6) 2_745 ?
O15 Cs4 3.545(6) 2_846 ?
O16 Cs6 3.024(5) 2_745 ?
O16 Cs2 3.246(6) 2_745 ?
O16 Cs1 3.254(6) 2_745 ?
O16 Cs5 3.304(5) 2_745 ?

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
O14 Cs1 O7 155.18(17) . . ?
O14 Cs1 O9 95.07(15) . . ?
O7 Cs1 O9 78.62(15) . . ?
O14 Cs1 O8 64.29(15) . 2_746 ?
O7 Cs1 O8 140.15(17) . 2_746 ?
O9 Cs1 O8 99.10(16) . 2_746 ?
O14 Cs1 O16 76.19(16) . 2_755 ?
O7 Cs1 O16 80.74(16) . 2_755 ?
O9 Cs1 O16 96.87(15) . 2_755 ?
O8 Cs1 O16 138.35(15) 2_746 2_755 ?
O14 Cs1 O4 102.22(15) . . ?
O7 Cs1 O4 96.37(15) . . ?
O9 Cs1 O4 144.33(15) . . ?
O8 Cs1 O4 62.42(15) 2_746 . ?
O16 Cs1 O4 117.36(15) 2_755 . ?
O14 Cs1 O5 153.88(15) . . ?
O7 Cs1 O5 45.06(16) . . ?
O9 Cs1 O5 109.47(15) . . ?
O8 Cs1 O5 101.93(15) 2_746 . ?
O16 Cs1 O5 108.49(16) 2_755 . ?
O4 Cs1 O5 52.30(15) . . ?
O14 Cs1 O6 109.18(16) . 2_746 ?
O7 Cs1 O6 95.17(17) . 2_746 ?
O9 Cs1 O6 92.72(15) . 2_746 ?
O8 Cs1 O6 44.98(15) 2_746 2_746 ?
O16 Cs1 O6 168.59(15) 2_755 2_746 ?
O4 Cs1 O6 52.22(15) . 2_746 ?
O5 Cs1 O6 62.17(16) . 2_746 ?
O14 Cs1 O5 86.39(16) . 2_746 ?
O7 Cs1 O5 109.72(17) . 2_746 ?
O9 Cs1 O5 58.87(15) . 2_746 ?
O8 Cs1 O5 43.76(15) 2_746 2_746 ?
O16 Cs1 O5 148.98(16) 2_755 2_746 ?
O4 Cs1 O5 91.09(15) . 2_746 ?
O5 Cs1 O5 98.484(18) . 2_746 ?
O6 Cs1 O5 42.42(15) 2_746 2_746 ?
O14 Cs1 P3 86.03(12) . 2_746 ?
O7 Cs1 P3 116.69(14) . 2_746 ?
O9 Cs1 P3 84.00(12) . 2_746 ?
O8 Cs1 P3 25.59(11) 2_746 2_746 ?
O16 Cs1 P3 162.22(11) 2_755 2_746 ?
O4 Cs1 P3 66.60(12) . 2_746 ?
O5 Cs1 P3 87.74(12) . 2_746 ?
O6 Cs1 P3 25.57(11) 2_746 2_746 ?
O5 Cs1 P3 25.27(11) 2_746 2_746 ?
O14 Cs1 O2 87.99(15) . . ?
O7 Cs1 O2 95.15(17) . . ?
O9 Cs1 O2 171.14(15) . . ?
O8 Cs1 O2 89.72(15) 2_746 . ?
O16 Cs1 O2 75.76(14) 2_755 . ?
O4 Cs1 O2 41.93(15) . . ?
O5 Cs1 O2 69.10(15) . . ?
O6 Cs1 O2 94.12(15) 2_746 . ?
O5 Cs1 O2 129.76(13) 2_746 . ?
P3 Cs1 O2 104.53(11) 2_746 . ?
O14 Cs1 O3 61.59(14) . . ?
O7 Cs1 O3 131.84(15) . . ?
O9 Cs1 O3 147.85(15) . . ?
O8 Cs1 O3 52.09(15) 2_746 . ?
O16 Cs1 O3 98.21(13) 2_755 . ?
O4 Cs1 O3 41.37(13) . . ?
O5 Cs1 O3 92.33(14) . . ?
O6 Cs1 O3 76.50(14) 2_746 . ?
O5 Cs1 O3 95.65(14) 2_746 . ?
P3 Cs1 O3 73.24(10) 2_746 . ?
O2 Cs1 O3 40.09(14) . . ?
O2 Cs2 O16 90.63(16) 2_745 . ?
O2 Cs2 O6 107.95(18) 2_745 2_745 ?
O16 Cs2 O6 122.48(16) . 2_745 ?
O2 Cs2 O13 122.87(17) 2_745 2_755 ?
O16 Cs2 O13 145.65(15) . 2_755 ?
O6 Cs2 O13 58.38(15) 2_745 2_755 ?
O2 Cs2 O16 117.13(16) 2_745 2_755 ?
O16 Cs2 O16 115.83(3) . 2_755 ?
O6 Cs2 O16 103.09(15) 2_745 2_755 ?
O13 Cs2 O16 45.15(15) 2_755 2_755 ?
O2 Cs2 O15 81.65(17) 2_745 2_755 ?
O16 Cs2 O15 149.64(15) . 2_755 ?
O6 Cs2 O15 87.73(16) 2_745 2_755 ?
O13 Cs2 O15 45.98(14) 2_755 2_755 ?
O16 Cs2 O15 46.38(14) 2_755 2_755 ?
O2 Cs2 O14 126.66(17) 2_745 . ?
O16 Cs2 O14 47.22(15) . . ?
O6 Cs2 O14 121.45(16) 2_745 . ?
O13 Cs2 O14 100.59(15) 2_755 . ?
O16 Cs2 O14 71.71(14) 2_755 . ?
O15 Cs2 O14 116.95(15) 2_755 . ?
O2 Cs2 P1 108.46(14) 2_745 2_755 ?
O16 Cs2 P1 142.09(12) . 2_755 ?
O6 Cs2 P1 83.23(12) 2_745 2_755 ?
O13 Cs2 P1 26.82(10) 2_755 2_755 ?
O16 Cs2 P1 26.28(11) 2_755 2_755 ?
O15 Cs2 P1 27.08(11) 2_755 2_755 ?
O14 Cs2 P1 96.67(11) . 2_755 ?
O2 Cs2 O7 102.69(18) 2_745 2_745 ?
O16 Cs2 O7 79.11(15) . 2_745 ?
O6 Cs2 O7 44.22(15) 2_745 2_745 ?
O13 Cs2 O7 98.56(15) 2_755 2_745 ?
O16 Cs2 O7 136.25(15) 2_755 2_745 ?
O15 Cs2 O7 131.20(15) 2_755 2_745 ?
O14 Cs2 O7 99.32(14) . 2_745 ?
P1 Cs2 O7 125.25(12) 2_755 2_745 ?
O2 Cs2 P3 95.49(14) 2_745 2_745 ?
O16 Cs2 P3 102.33(12) . 2_745 ?
O6 Cs2 P3 24.98(12) 2_745 2_745 ?
O13 Cs2 P3 83.35(11) 2_755 2_745 ?
O16 Cs2 P3 127.82(11) 2_755 2_745 ?
O15 Cs2 P3 107.60(11) 2_755 2_745 ?
O14 Cs2 P3 120.80(11) . 2_745 ?
P1 Cs2 P3 107.83(6) 2_755 2_745 ?
O7 Cs2 P3 24.24(11) 2_745 2_745 ?
O2 Cs2 O5 71.78(15) 2_745 2_745 ?
O16 Cs2 O5 104.79(15) . 2_745 ?
O6 Cs2 O5 40.81(15) 2_745 2_745 ?
O13 Cs2 O5 93.91(15) 2_755 2_745 ?
O16 Cs2 O5 137.70(15) 2_755 2_745 ?
O15 Cs2 O5 100.58(14) 2_755 2_745 ?
O14 Cs2 O5 139.15(14) . 2_745 ?
P1 Cs2 O5 112.13(12) 2_755 2_745 ?
O7 Cs2 O5 40.42(14) 2_745 2_745 ?
P3 Cs2 O5 23.89(10) 2_745 2_745 ?
O2 Cs2 Cs1 62.37(13) 2_745 2_745 ?
O16 Cs2 Cs1 54.54(11) . 2_745 ?
O6 Cs2 Cs1 86.48(11) 2_745 2_745 ?
O13 Cs2 Cs1 144.78(11) 2_755 2_745 ?
O16 Cs2 Cs1 169.64(10) 2_755 2_745 ?
O15 Cs2 Cs1 139.52(11) 2_755 2_745 ?
O14 Cs2 Cs1 100.01(10) . 2_745 ?
P1 Cs2 Cs1 163.21(5) 2_755 2_745 ?
O7 Cs2 Cs1 49.90(11) 2_745 2_745 ?
P3 Cs2 Cs1 61.55(4) 2_745 2_745 ?
O5 Cs2 Cs1 52.65(11) 2_745 2_745 ?
O9 Cs3 O15 169.00(16) . 2_756 ?
O9 Cs3 O1 126.15(17) . 1_455 ?
O15 Cs3 O1 64.53(16) 2_756 1_455 ?
O9 Cs3 O3 92.42(15) . 1_455 ?
O15 Cs3 O3 98.09(14) 2_756 1_455 ?
O1 Cs3 O3 44.95(15) 1_455 1_455 ?
O9 Cs3 O7 78.54(16) . . ?
O15 Cs3 O7 102.87(16) 2_756 . ?
O1 Cs3 O7 78.60(15) 1_455 . ?
O3 Cs3 O7 99.04(15) 1_455 . ?
O9 Cs3 O8 121.93(16) . . ?
O15 Cs3 O8 60.52(15) 2_756 . ?
O1 Cs3 O8 53.39(14) 1_455 . ?
O3 Cs3 O8 95.21(15) 1_455 . ?
O7 Cs3 O8 43.41(15) . . ?
O9 Cs3 O2 100.87(16) . 2_746 ?
O15 Cs3 O2 75.73(15) 2_756 2_746 ?
O1 Cs3 O2 109.46(17) 1_455 2_746 ?
O3 Cs3 O2 91.40(15) 1_455 2_746 ?
O7 Cs3 O2 169.56(16) . 2_746 ?
O8 Cs3 O2 136.23(14) . 2_746 ?
O9 Cs3 O5 59.71(15) . 2_746 ?
O15 Cs3 O5 109.56(15) 2_756 2_746 ?
O1 Cs3 O5 174.03(18) 1_455 2_746 ?
O3 Cs3 O5 139.66(15) 1_455 2_746 ?
O7 Cs3 O5 102.59(16) . 2_746 ?
O8 Cs3 O5 123.70(14) . 2_746 ?
O2 Cs3 O5 68.70(15) 2_746 2_746 ?
O9 Cs3 O4 60.03(15) . 2_746 ?
O15 Cs3 O4 115.79(15) 2_756 2_746 ?
O1 Cs3 O4 133.70(14) 1_455 2_746 ?
O3 Cs3 O4 93.22(14) 1_455 2_746 ?
O7 Cs3 O4 137.22(15) . 2_746 ?
O8 Cs3 O4 171.22(16) . 2_746 ?
O2 Cs3 O4 40.84(14) 2_746 2_746 ?
O5 Cs3 O4 48.63(14) 2_746 2_746 ?
O9 Cs3 O11 43.15(14) . . ?
O15 Cs3 O11 145.59(14) 2_756 . ?
O1 Cs3 O11 93.65(15) 1_455 . ?
O3 Cs3 O11 51.29(14) 1_455 . ?
O7 Cs3 O11 97.92(15) . . ?
O8 Cs3 O11 128.38(15) . . ?
O2 Cs3 O11 88.35(15) 2_746 . ?
O5 Cs3 O11 91.98(14) 2_746 . ?
O4 Cs3 O11 59.54(14) 2_746 . ?
O9 Cs3 O6 89.03(14) . 2_746 ?
O15 Cs3 O6 80.30(14) 2_756 2_746 ?
O1 Cs3 O6 135.79(14) 1_455 2_746 ?
O3 Cs3 O6 176.43(15) 1_455 2_746 ?
O7 Cs3 O6 84.45(14) . 2_746 ?
O8 Cs3 O6 86.78(14) . 2_746 ?
O2 Cs3 O6 85.12(14) 2_746 2_746 ?
O5 Cs3 O6 39.28(14) 2_746 2_746 ?
O4 Cs3 O6 84.67(13) 2_746 2_746 ?
O11 Cs3 O6 129.22(13) . 2_746 ?
O9 Cs3 P2 80.47(13) . 2_746 ?
O15 Cs3 P2 97.81(12) 2_756 2_746 ?
O1 Cs3 P2 114.19(12) 1_455 2_746 ?
O3 Cs3 P2 81.43(11) 1_455 2_746 ?
O7 Cs3 P2 159.00(12) . 2_746 ?
O8 Cs3 P2 157.56(11) . 2_746 ?
O2 Cs3 P2 23.15(11) 2_746 2_746 ?
O5 Cs3 P2 66.51(11) 2_746 2_746 ?
O4 Cs3 P2 23.06(9) 2_746 2_746 ?
O11 Cs3 P2 65.83(11) . 2_746 ?
O6 Cs3 P2 95.60(10) 2_746 2_746 ?
O12 Cs4 O10 82.75(17) 2_756 1_656 ?
O12 Cs4 O2 156.01(16) 2_756 2_846 ?
O10 Cs4 O2 85.73(17) 1_656 2_846 ?
O12 Cs4 O1 155.40(16) 2_756 2_846 ?
O10 Cs4 O1 117.89(17) 1_656 2_846 ?
O2 Cs4 O1 46.75(16) 2_846 2_846 ?
O12 Cs4 O8 102.53(16) 2_756 2_746 ?
O10 Cs4 O8 128.37(16) 1_656 2_746 ?
O2 Cs4 O8 101.13(16) 2_846 2_746 ?
O1 Cs4 O8 54.79(15) 2_846 2_746 ?
O12 Cs4 O4 57.78(15) 2_756 . ?
O10 Cs4 O4 139.79(16) 1_656 . ?
O2 Cs4 O4 133.62(16) 2_846 . ?
O1 Cs4 O4 99.27(15) 2_846 . ?
O8 Cs4 O4 61.52(15) 2_746 . ?
O12 Cs4 O7 92.84(16) 2_756 2_746 ?
O10 Cs4 O7 84.50(16) 1_656 2_746 ?
O2 Cs4 O7 106.95(18) 2_846 2_746 ?
O1 Cs4 O7 77.12(15) 2_846 2_746 ?
O8 Cs4 O7 44.31(16) 2_746 2_746 ?
O4 Cs4 O7 89.71(15) . 2_746 ?
O12 Cs4 O15 85.20(15) 2_756 2_856 ?
O10 Cs4 O15 95.10(15) 1_656 2_856 ?
O2 Cs4 O15 74.92(15) 2_846 2_856 ?
O1 Cs4 O15 104.74(15) 2_846 2_856 ?
O8 Cs4 O15 136.31(15) 2_746 2_856 ?
O4 Cs4 O15 89.36(14) . 2_856 ?
O7 Cs4 O15 178.04(15) 2_746 2_856 ?
O12 Cs4 P3 86.25(12) 2_756 2_746 ?
O10 Cs4 P3 107.32(12) 1_656 2_746 ?
O2 Cs4 P3 117.34(12) 2_846 2_746 ?
O1 Cs4 P3 75.22(11) 2_846 2_746 ?
O8 Cs4 P3 25.53(11) 2_746 2_746 ?
O4 Cs4 P3 66.07(11) . 2_746 ?
O7 Cs4 P3 24.79(11) 2_746 2_746 ?
O15 Cs4 P3 154.76(10) 2_856 2_746 ?
O12 Cs4 O6 61.80(15) 2_756 2_746 ?
O10 Cs4 O6 106.64(15) 1_656 2_746 ?
O2 Cs4 O6 142.08(15) 2_846 2_746 ?
O1 Cs4 O6 97.52(14) 2_846 2_746 ?
O8 Cs4 O6 43.07(14) 2_746 2_746 ?
O4 Cs4 O6 50.22(14) . 2_746 ?
O7 Cs4 O6 41.86(14) 2_746 2_746 ?
O15 Cs4 O6 136.72(13) 2_856 2_746 ?
P3 Cs4 O6 24.96(10) 2_746 2_746 ?
O12 Cs4 O3 98.47(15) 2_756 . ?
O10 Cs4 O3 178.44(15) 1_656 . ?
O2 Cs4 O3 92.78(15) 2_846 . ?
O1 Cs4 O3 61.16(15) 2_846 . ?
O8 Cs4 O3 52.37(14) 2_746 . ?
O4 Cs4 O3 41.59(14) . . ?
O7 Cs4 O3 96.38(14) 2_746 . ?
O15 Cs4 O3 84.06(13) 2_856 . ?
P3 Cs4 O3 73.77(10) 2_746 . ?
O6 Cs4 O3 74.83(14) 2_746 . ?
O12 Cs4 P2 176.12(12) 2_756 2_846 ?
O10 Cs4 P2 99.92(13) 1_656 2_846 ?
O2 Cs4 P2 23.06(12) 2_846 2_846 ?
O1 Cs4 P2 24.04(11) 2_846 2_846 ?
O8 Cs4 P2 78.07(11) 2_746 2_846 ?
O4 Cs4 P2 119.91(11) . 2_846 ?
O7 Cs4 P2 90.23(12) 2_746 2_846 ?
O15 Cs4 P2 91.73(10) 2_856 2_846 ?
P3 Cs4 P2 95.58(6) 2_746 2_846 ?
O6 Cs4 P2 119.65(11) 2_746 2_846 ?
O3 Cs4 P2 78.81(10) . 2_846 ?
O12 Cs5 O2 128.08(17) 2_755 . ?
O12 Cs5 O14 135.76(17) 2_755 . ?
O2 Cs5 O14 96.16(16) . . ?
O12 Cs5 O3 143.18(15) 2_755 . ?
O2 Cs5 O3 47.20(16) . . ?
O14 Cs5 O3 65.75(15) . . ?
O12 Cs5 O16 108.05(15) 2_755 2_755 ?
O2 Cs5 O16 83.75(16) . 2_755 ?
O14 Cs5 O16 73.03(15) . 2_755 ?
O3 Cs5 O16 107.29(14) . 2_755 ?
O12 Cs5 O10 46.69(16) 2_755 2_755 ?
O2 Cs5 O10 81.46(17) . 2_755 ?
O14 Cs5 O10 176.17(16) . 2_755 ?
O3 Cs5 O10 110.53(15) . 2_755 ?
O16 Cs5 O10 109.56(16) 2_755 2_755 ?
O12 Cs5 O13 64.35(15) 2_755 2_755 ?
O2 Cs5 O13 113.29(16) . 2_755 ?
O14 Cs5 O13 101.49(15) . 2_755 ?
O3 Cs5 O13 150.85(14) . 2_755 ?
O16 Cs5 O13 43.88(14) 2_755 2_755 ?
O10 Cs5 O13 82.24(15) 2_755 2_755 ?
O12 Cs5 O11 105.14(15) 2_755 1_655 ?
O2 Cs5 O11 100.37(16) . 1_655 ?
O14 Cs5 O11 60.52(15) . 1_655 ?
O3 Cs5 O11 54.41(15) . 1_655 ?
O16 Cs5 O11 133.55(15) 2_755 1_655 ?
O10 Cs5 O11 116.83(15) 2_755 1_655 ?
O13 Cs5 O11 143.82(16) 2_755 1_655 ?
O12 Cs5 P4 23.92(12) 2_755 2_755 ?
O2 Cs5 P4 104.42(13) . 2_755 ?
O14 Cs5 P4 159.07(11) . 2_755 ?
O3 Cs5 P4 132.42(11) . 2_755 ?
O16 Cs5 P4 105.15(11) 2_755 2_755 ?
O10 Cs5 P4 23.94(11) 2_755 2_755 ?
O13 Cs5 P4 67.04(11) 2_755 2_755 ?
O11 Cs5 P4 118.04(11) 1_655 2_755 ?
O12 Cs5 P1 86.34(12) 2_755 2_755 ?
O2 Cs5 P1 96.78(12) . 2_755 ?
O14 Cs5 P1 88.81(11) . 2_755 ?
O3 Cs5 P1 128.44(11) . 2_755 ?
O16 Cs5 P1 21.72(10) 2_755 2_755 ?
O10 Cs5 P1 94.44(12) 2_755 2_755 ?
O13 Cs5 P1 22.44(10) 2_755 2_755 ?
O11 Cs5 P1 146.09(11) 1_655 2_755 ?
P4 Cs5 P1 85.11(6) 2_755 2_755 ?
O12 Cs5 Cs6 51.98(11) 2_755 1_655 ?
O2 Cs5 Cs6 100.33(12) . 1_655 ?
O14 Cs5 Cs6 128.08(10) . 1_655 ?
O3 Cs5 Cs6 91.29(10) . 1_655 ?
O16 Cs5 Cs6 157.20(10) 2_755 1_655 ?
O10 Cs5 Cs6 49.89(10) 2_755 1_655 ?
O13 Cs5 Cs6 115.83(10) 2_755 1_655 ?
O11 Cs5 Cs6 68.19(10) 1_655 1_655 ?
P4 Cs5 Cs6 52.06(4) 2_755 1_655 ?
P1 Cs5 Cs6 136.57(4) 2_755 1_655 ?
O12 Cs5 Y2 32.91(11) 2_755 2_755 ?
O2 Cs5 Y2 132.02(12) . 2_755 ?
O14 Cs5 Y2 117.95(11) . 2_755 ?
O3 Cs5 Y2 175.85(10) . 2_755 ?
O16 Cs5 Y2 76.11(10) 2_755 2_755 ?
O10 Cs5 Y2 65.73(11) 2_755 2_755 ?
O13 Cs5 Y2 32.31(10) 2_755 2_755 ?
O11 Cs5 Y2 125.03(11) 1_655 2_755 ?
P4 Cs5 Y2 43.56(4) 2_755 2_755 ?
P1 Cs5 Y2 54.74(4) 2_755 2_755 ?
Cs6 Cs5 Y2 84.867(19) 1_655 2_755 ?
O7 Cs6 O16 87.70(16) . 2_755 ?
O7 Cs6 O10 123.13(18) . . ?
O16 Cs6 O10 108.42(17) 2_755 . ?
O7 Cs6 O10 89.78(17) . 2_655 ?
O16 Cs6 O10 127.56(17) 2_755 2_655 ?
O10 Cs6 O10 116.34(6) . 2_655 ?
O7 Cs6 O12 133.73(16) . 2_655 ?
O16 Cs6 O12 127.10(15) 2_755 2_655 ?
O10 Cs6 O12 78.16(16) . 2_655 ?
O10 Cs6 O12 46.02(15) 2_655 2_655 ?
O7 Cs6 O9 78.39(17) . . ?
O16 Cs6 O9 97.78(15) 2_755 . ?
O10 Cs6 O9 46.21(15) . . ?
O10 Cs6 O9 132.78(15) 2_655 . ?
O12 Cs6 O9 118.64(14) 2_655 . ?
O7 Cs6 O11 116.79(17) . 2_655 ?
O16 Cs6 O11 91.81(14) 2_755 2_655 ?
O10 Cs6 O11 116.70(16) . 2_655 ?
O10 Cs6 O11 44.47(15) 2_655 2_655 ?
O12 Cs6 O11 44.86(14) 2_655 2_655 ?
O9 Cs6 O11 162.48(14) . 2_655 ?
O7 Cs6 P4 114.55(14) . 2_655 ?
O16 Cs6 P4 117.91(12) 2_755 2_655 ?
O10 Cs6 P4 105.00(12) . 2_655 ?
O10 Cs6 P4 25.91(12) 2_655 2_655 ?
O12 Cs6 P4 26.88(11) 2_655 2_655 ?
O9 Cs6 P4 141.60(10) . 2_655 ?
O11 Cs6 P4 26.10(10) 2_655 2_655 ?
O7 Cs6 O15 128.99(16) . 2_755 ?
O16 Cs6 O15 45.30(14) 2_755 2_755 ?
O10 Cs6 O15 94.67(15) . 2_755 ?
O10 Cs6 O15 103.55(15) 2_655 2_755 ?
O12 Cs6 O15 82.39(14) 2_655 2_755 ?
O9 Cs6 O15 119.46(15) . 2_755 ?
O11 Cs6 O15 59.08(14) 2_655 2_755 ?
P4 Cs6 O15 81.70(10) 2_655 2_755 ?
O7 Cs6 P1 104.04(13) . 2_755 ?
O16 Cs6 P1 23.89(11) 2_755 2_755 ?
O10 Cs6 P1 111.67(12) . 2_755 ?
O10 Cs6 P1 109.45(13) 2_655 2_755 ?
O12 Cs6 P1 103.71(11) 2_655 2_755 ?
O9 Cs6 P1 117.75(10) . 2_755 ?
O11 Cs6 P1 68.99(10) 2_655 2_755 ?
P4 Cs6 P1 94.91(6) 2_655 2_755 ?
O15 Cs6 P1 25.06(10) 2_755 2_755 ?
O7 Cs6 Cs4 172.47(14) . 1_454 ?
O16 Cs6 Cs4 95.33(11) 2_755 1_454 ?
O10 Cs6 Cs4 49.35(12) . 1_454 ?
O10 Cs6 Cs4 93.80(11) 2_655 1_454 ?
O12 Cs6 Cs4 48.42(10) 2_655 1_454 ?
O9 Cs6 Cs4 94.35(10) . 1_454 ?
O11 Cs6 Cs4 70.08(11) 2_655 1_454 ?
P4 Cs6 Cs4 70.04(4) 2_655 1_454 ?
O15 Cs6 Cs4 56.44(10) 2_755 1_454 ?
P1 Cs6 Cs4 81.01(4) 2_755 1_454 ?
O7 Cs6 Cs5 100.73(12) . 1_455 ?
O16 Cs6 Cs5 171.56(11) 2_755 1_455 ?
O10 Cs6 Cs5 67.22(11) . 1_455 ?
O10 Cs6 Cs5 52.95(12) 2_655 1_455 ?
O12 Cs6 Cs5 45.84(10) 2_655 1_455 ?
O9 Cs6 Cs5 84.31(9) . 1_455 ?
O11 Cs6 Cs5 84.18(9) 2_655 1_455 ?
P4 Cs6 Cs5 58.34(4) 2_655 1_455 ?
O15 Cs6 Cs5 126.73(9) 2_755 1_455 ?
P1 Cs6 Cs5 149.54(4) 2_755 1_455 ?
Cs4 Cs6 Cs5 76.331(16) 1_454 1_455 ?
O1 Y1 O3 105.2(2) 2_846 . ?
O1 Y1 O11 95.2(2) 2_846 1_655 ?
O3 Y1 O11 86.0(2) . 1_655 ?
O1 Y1 O8 84.5(2) 2_846 2_746 ?
O3 Y1 O8 86.1(2) . 2_746 ?
O11 Y1 O8 171.7(3) 1_655 2_746 ?
O1 Y1 O15 94.8(2) 2_846 . ?
O3 Y1 O15 159.6(2) . . ?
O11 Y1 O15 96.5(2) 1_655 . ?
O8 Y1 O15 91.7(2) 2_746 . ?
O1 Y1 O14 156.5(2) 2_846 . ?
O3 Y1 O14 97.5(2) . . ?
O11 Y1 O14 92.5(2) 1_655 . ?
O8 Y1 O14 90.9(2) 2_746 . ?
O15 Y1 O14 62.3(2) . . ?
O1 Y1 Cs3 54.25(16) 2_846 2_746 ?
O3 Y1 Cs3 140.36(15) . 2_746 ?
O11 Y1 Cs3 125.46(18) 1_655 2_746 ?
O8 Y1 Cs3 60.73(17) 2_746 2_746 ?
O15 Y1 Cs3 51.39(15) . 2_746 ?
O14 Y1 Cs3 103.65(14) . 2_746 ?
O1 Y1 Cs3 65.10(16) 2_846 1_655 ?
O3 Y1 Cs3 51.13(15) . 1_655 ?
O11 Y1 Cs3 61.08(16) 1_655 1_655 ?
O8 Y1 Cs3 111.71(16) 2_746 1_655 ?
O15 Y1 Cs3 146.23(14) . 1_655 ?
O14 Y1 Cs3 137.11(14) . 1_655 ?
Cs3 Y1 Cs3 119.13(2) 2_746 1_655 ?
O1 Y1 Cs6 108.78(17) 2_846 2_745 ?
O3 Y1 Cs6 123.34(15) . 2_745 ?
O11 Y1 Cs6 47.41(16) 1_655 2_745 ?
O8 Y1 Cs6 140.34(16) 2_746 2_745 ?
O15 Y1 Cs6 51.07(14) . 2_745 ?
O14 Y1 Cs6 61.85(14) . 2_745 ?
Cs3 Y1 Cs6 96.25(2) 2_746 2_745 ?
Cs3 Y1 Cs6 107.72(2) 1_655 2_745 ?
O1 Y1 Cs4 58.55(17) 2_846 2_846 ?
O3 Y1 Cs4 146.06(15) . 2_846 ?
O11 Y1 Cs4 67.86(17) 1_655 2_846 ?
O8 Y1 Cs4 118.41(17) 2_746 2_846 ?
O15 Y1 Cs4 50.54(14) . 2_846 ?
O14 Y1 Cs4 104.73(14) . 2_846 ?
Cs3 Y1 Cs4 57.718(18) 2_746 2_846 ?
Cs3 Y1 Cs4 95.99(2) 1_655 2_846 ?
Cs6 Y1 Cs4 51.855(15) 2_745 2_846 ?
O5 Y2 O4 85.2(2) 2_746 2_746 ?
O5 Y2 O6 106.3(3) 2_746 1_545 ?
O4 Y2 O6 84.8(2) 2_746 1_545 ?
O5 Y2 O13 94.3(2) 2_746 . ?
O4 Y2 O13 174.5(2) 2_746 . ?
O6 Y2 O13 90.1(2) 1_545 . ?
O5 Y2 O12 152.9(2) 2_746 . ?
O4 Y2 O12 86.8(2) 2_746 . ?
O6 Y2 O12 98.8(2) 1_545 . ?
O13 Y2 O12 96.0(2) . . ?
O5 Y2 O9 91.8(2) 2_746 . ?
O4 Y2 O9 94.5(2) 2_746 . ?
O6 Y2 O9 161.7(2) 1_545 . ?
O13 Y2 O9 91.0(2) . . ?
O12 Y2 O9 63.0(2) . . ?
O5 Y2 Cs1 57.15(18) 2_746 2_746 ?
O4 Y2 Cs1 55.86(16) 2_746 2_746 ?
O6 Y2 Cs1 57.48(17) 1_545 2_746 ?
O13 Y2 Cs1 119.42(16) . 2_746 ?
O12 Y2 Cs1 134.81(15) . 2_746 ?
O9 Y2 Cs1 135.68(15) . 2_746 ?
O5 Y2 Cs4 139.85(18) 2_746 2_746 ?
O4 Y2 Cs4 56.62(17) 2_746 2_746 ?
O6 Y2 Cs4 62.19(17) 1_545 2_746 ?
O13 Y2 Cs4 122.44(16) . 2_746 ?
O12 Y2 Cs4 47.41(14) . 2_746 ?
O9 Y2 Cs4 102.26(14) . 2_746 ?
Cs1 Y2 Cs4 88.25(2) 2_746 2_746 ?
O5 Y2 Cs5 145.78(18) 2_746 2_745 ?
O4 Y2 Cs5 127.91(17) 2_746 2_745 ?
O6 Y2 Cs5 87.35(18) 1_545 2_745 ?
O13 Y2 Cs5 53.66(16) . 2_745 ?
O12 Y2 Cs5 43.84(14) . 2_745 ?
O9 Y2 Cs5 78.70(14) . 2_745 ?
Cs1 Y2 Cs5 144.82(3) 2_746 2_745 ?
Cs4 Y2 Cs5 74.32(2) 2_746 2_745 ?
O5 Y2 Cs2 113.09(18) 2_746 2_745 ?
O4 Y2 Cs2 128.98(17) 2_746 2_745 ?
O6 Y2 Cs2 44.99(16) 1_545 2_745 ?
O13 Y2 Cs2 46.37(16) . 2_745 ?
O12 Y2 Cs2 91.96(15) . 2_745 ?
O9 Y2 Cs2 129.70(15) . 2_745 ?
Cs1 Y2 Cs2 93.47(2) 2_746 2_745 ?
Cs4 Y2 Cs2 86.32(2) 2_746 2_745 ?
Cs5 Y2 Cs2 55.824(17) 2_745 2_745 ?
O5 Y2 Cs3 61.32(18) 2_746 2_746 ?
O4 Y2 Cs3 110.82(17) 2_746 2_746 ?
O6 Y2 Cs3 55.56(18) 1_545 2_746 ?
O13 Y2 Cs3 64.34(16) . 2_746 ?
O12 Y2 Cs3 145.16(15) . 2_746 ?
O9 Y2 Cs3 139.90(14) . 2_746 ?
Cs1 Y2 Cs3 55.080(16) 2_746 2_746 ?
Cs4 Y2 Cs3 117.53(2) 2_746 2_746 ?
Cs5 Y2 Cs3 106.29(2) 2_745 2_746 ?
Cs2 Y2 Cs3 53.425(16) 2_745 2_746 ?
O16 P1 O13 108.6(3) . . ?
O16 P1 O14 112.8(3) . . ?
O13 P1 O14 111.0(4) . . ?
O16 P1 O15 112.3(3) . . ?
O13 P1 O15 109.1(3) . . ?
O14 P1 O15 102.9(3) . . ?
O16 P1 Cs2 71.3(2) . 2_745 ?
O13 P1 Cs2 70.7(2) . 2_745 ?
O14 P1 Cs2 174.0(3) . 2_745 ?
O15 P1 Cs2 71.2(2) . 2_745 ?
O16 P1 Cs6 53.8(2) . 2_745 ?
O13 P1 Cs6 158.3(3) . 2_745 ?
O14 P1 Cs6 89.2(2) . 2_745 ?
O15 P1 Cs6 72.2(2) . 2_745 ?
Cs2 P1 Cs6 90.03(6) 2_745 2_745 ?
O16 P1 Cs5 53.7(2) . 2_745 ?
O13 P1 Cs5 55.9(2) . 2_745 ?
O14 P1 Cs5 121.0(2) . 2_745 ?
O15 P1 Cs5 136.1(3) . 2_745 ?
Cs2 P1 Cs5 64.89(4) 2_745 2_745 ?
Cs6 P1 Cs5 107.43(6) 2_745 2_745 ?
O16 P1 Cs3 128.9(3) . 2_746 ?
O13 P1 Cs3 75.9(2) . 2_746 ?
O14 P1 Cs3 112.1(2) . 2_746 ?
O15 P1 Cs3 33.5(2) . 2_746 ?
Cs2 P1 Cs3 62.39(4) 2_745 2_746 ?
Cs6 P1 Cs3 104.51(6) 2_745 2_746 ?
Cs5 P1 Cs3 117.05(6) 2_745 2_746 ?
O4 P2 O2 111.2(4) . . ?
O4 P2 O3 109.9(3) . . ?
O2 P2 O3 110.0(4) . . ?
O4 P2 O1 108.5(4) . . ?
O2 P2 O1 110.0(4) . . ?
O3 P2 O1 107.1(3) . . ?
O4 P2 Cs4 136.2(3) . 2_856 ?
O2 P2 Cs4 52.7(3) . 2_856 ?
O3 P2 Cs4 113.9(2) . 2_856 ?
O1 P2 Cs4 58.5(3) . 2_856 ?
O4 P2 Cs3 70.9(3) . 2_756 ?
O2 P2 Cs3 65.3(3) . 2_756 ?
O3 P2 Cs3 174.7(3) . 2_756 ?
O1 P2 Cs3 77.2(2) . 2_756 ?
Cs4 P2 Cs3 65.38(4) 2_856 2_756 ?
O4 P2 Cs3 124.1(3) . 1_655 ?
O2 P2 Cs3 124.6(3) . 1_655 ?
O3 P2 Cs3 55.7(2) . 1_655 ?
O1 P2 Cs3 51.4(2) . 1_655 ?
Cs4 P2 Cs3 82.72(5) 2_856 1_655 ?
Cs3 P2 Cs3 128.50(7) 2_756 1_655 ?
O7 P3 O8 110.7(4) . . ?
O7 P3 O5 110.8(4) . . ?
O8 P3 O5 108.1(4) . . ?
O7 P3 O6 110.1(4) . . ?
O8 P3 O6 110.1(4) . . ?
O5 P3 O6 107.0(4) . . ?
O7 P3 Cs1 174.2(3) . 2_756 ?
O8 P3 Cs1 63.7(3) . 2_756 ?
O5 P3 Cs1 73.5(3) . 2_756 ?
O6 P3 Cs1 71.5(3) . 2_756 ?
O7 P3 Cs4 71.0(3) . 2_756 ?
O8 P3 Cs4 65.0(2) . 2_756 ?
O5 P3 Cs4 172.7(3) . 2_756 ?
O6 P3 Cs4 78.5(3) . 2_756 ?
Cs1 P3 Cs4 104.25(6) 2_756 2_756 ?
O7 P3 Cs2 69.6(3) . 2_755 ?
O8 P3 Cs2 168.5(3) . 2_755 ?
O5 P3 Cs2 81.9(3) . 2_755 ?
O6 P3 Cs2 60.4(2) . 2_755 ?
Cs1 P3 Cs2 115.40(7) 2_756 2_755 ?
Cs4 P3 Cs2 105.25(6) 2_756 2_755 ?
O10 P4 O11 110.4(4) . . ?
O10 P4 O9 112.7(4) . . ?
O11 P4 O9 109.8(4) . . ?
O10 P4 O12 110.4(4) . . ?
O11 P4 O12 109.5(4) . . ?
O9 P4 O12 103.8(4) . . ?
O10 P4 Cs6 68.4(3) . 2_645 ?
O11 P4 Cs6 75.4(3) . 2_645 ?
O9 P4 Cs6 173.1(3) . 2_645 ?
O12 P4 Cs6 69.8(2) . 2_645 ?
O10 P4 Cs5 64.3(3) . 2_745 ?
O11 P4 Cs5 143.9(3) . 2_745 ?
O9 P4 Cs5 104.5(2) . 2_745 ?
O12 P4 Cs5 50.0(2) . 2_745 ?
Cs6 P4 Cs5 69.61(5) 2_645 2_745 ?
P2 O1 Y1 155.0(4) . 2_856 ?
P2 O1 Cs3 106.3(3) . 1_655 ?
Y1 O1 Cs3 91.82(19) 2_856 1_655 ?
P2 O1 Cs4 97.4(3) . 2_856 ?
Y1 O1 Cs4 94.5(2) 2_856 2_856 ?
Cs3 O1 Cs4 104.35(18) 1_655 2_856 ?
P2 O2 Cs2 145.4(4) . 2_755 ?
P2 O2 Cs5 105.3(3) . . ?
Cs2 O2 Cs5 90.28(17) 2_755 . ?
P2 O2 Cs4 104.3(3) . 2_856 ?
Cs2 O2 Cs4 104.5(2) 2_755 2_856 ?
Cs5 O2 Cs4 95.85(18) . 2_856 ?
P2 O2 Cs3 91.6(3) . 2_756 ?
Cs2 O2 Cs3 76.76(15) 2_755 2_756 ?
Cs5 O2 Cs3 162.9(2) . 2_756 ?
Cs4 O2 Cs3 76.99(14) 2_856 2_756 ?
P2 O2 Cs1 81.8(3) . . ?
Cs2 O2 Cs1 71.84(13) 2_755 . ?
Cs5 O2 Cs1 76.89(14) . . ?
Cs4 O2 Cs1 171.7(2) 2_856 . ?
Cs3 O2 Cs1 108.84(17) 2_756 . ?
P2 O3 Y1 155.5(3) . . ?
P2 O3 Cs5 97.2(3) . . ?
Y1 O3 Cs5 90.16(19) . . ?
P2 O3 Cs3 101.7(3) . 1_655 ?
Y1 O3 Cs3 97.1(2) . 1_655 ?
Cs5 O3 Cs3 111.87(16) . 1_655 ?
P2 O3 Cs4 86.8(3) . . ?
Y1 O3 Cs4 83.75(18) . . ?
Cs5 O3 Cs4 172.79(19) . . ?
Cs3 O3 Cs4 72.87(12) 1_655 . ?
P2 O3 Cs1 79.7(2) . . ?
Y1 O3 Cs1 79.99(16) . . ?
Cs5 O3 Cs1 73.97(12) . . ?
Cs3 O3 Cs1 173.6(2) 1_655 . ?
Cs4 O3 Cs1 101.07(13) . . ?
P2 O4 Y2 170.7(4) . 2_756 ?
P2 O4 Cs1 92.1(3) . . ?
Y2 O4 Cs1 91.11(19) 2_756 . ?
P2 O4 Cs4 96.2(3) . . ?
Y2 O4 Cs4 90.5(2) 2_756 . ?
Cs1 O4 Cs4 113.74(18) . . ?
P2 O4 Cs3 86.0(3) . 2_756 ?
Y2 O4 Cs3 84.69(18) 2_756 2_756 ?
Cs1 O4 Cs3 111.74(17) . 2_756 ?
Cs4 O4 Cs3 134.34(19) . 2_756 ?
P3 O5 Y2 154.1(4) . 2_756 ?
P3 O5 Cs1 95.7(3) . . ?
Y2 O5 Cs1 90.1(2) 2_756 . ?
P3 O5 Cs1 81.2(3) . 2_756 ?
Y2 O5 Cs1 91.8(2) 2_756 2_756 ?
Cs1 O5 Cs1 176.3(2) . 2_756 ?
P3 O5 Cs3 112.6(3) . 2_756 ?
Y2 O5 Cs3 87.73(19) 2_756 2_756 ?
Cs1 O5 Cs3 113.28(18) . 2_756 ?
Cs1 O5 Cs3 69.99(13) 2_756 2_756 ?
P3 O5 Cs2 74.2(3) . 2_755 ?
Y2 O5 Cs2 130.5(2) 2_756 2_755 ?
Cs1 O5 Cs2 65.46(12) . 2_755 ?
Cs1 O5 Cs2 115.36(18) 2_756 2_755 ?
Cs3 O5 Cs2 66.66(12) 2_756 2_755 ?
P3 O6 Y2 157.0(4) . 1_565 ?
P3 O6 Cs2 94.7(3) . 2_755 ?
Y2 O6 Cs2 105.8(2) 1_565 2_755 ?
P3 O6 Cs1 83.0(3) . 2_756 ?
Y2 O6 Cs1 89.5(2) 1_565 2_756 ?
Cs2 O6 Cs1 135.6(2) 2_755 2_756 ?
P3 O6 Cs4 76.6(3) . 2_756 ?
Y2 O6 Cs4 85.03(19) 1_565 2_756 ?
Cs2 O6 Cs4 115.5(2) 2_755 2_756 ?
Cs1 O6 Cs4 107.07(16) 2_756 2_756 ?
P3 O6 Cs3 101.1(3) . 2_756 ?
Y2 O6 Cs3 95.9(2) 1_565 2_756 ?
Cs2 O6 Cs3 69.53(12) 2_755 2_756 ?
Cs1 O6 Cs3 67.49(12) 2_756 2_756 ?
Cs4 O6 Cs3 174.42(19) 2_756 2_756 ?
P3 O7 Cs6 168.8(4) . . ?
P3 O7 Cs1 108.4(3) . . ?
Cs6 O7 Cs1 77.92(15) . . ?
P3 O7 Cs3 94.9(3) . . ?
Cs6 O7 Cs3 95.56(18) . . ?
Cs1 O7 Cs3 76.90(15) . . ?
P3 O7 Cs4 84.2(3) . 2_756 ?
Cs6 O7 Cs4 90.50(16) . 2_756 ?
Cs1 O7 Cs4 166.4(2) . 2_756 ?
Cs3 O7 Cs4 97.41(16) . 2_756 ?
P3 O7 Cs2 86.1(3) . 2_755 ?
Cs6 O7 Cs2 87.14(17) . 2_755 ?
Cs1 O7 Cs2 72.47(13) . 2_755 ?
Cs3 O7 Cs2 148.0(2) . 2_755 ?
Cs4 O7 Cs2 114.5(2) 2_756 2_755 ?
P3 O8 Y1 175.0(4) . 2_756 ?
P3 O8 Cs1 90.7(3) . 2_756 ?
Y1 O8 Cs1 91.5(2) 2_756 2_756 ?
P3 O8 Cs4 89.4(3) . 2_756 ?
Y1 O8 Cs4 93.19(19) 2_756 2_756 ?
Cs1 O8 Cs4 122.2(2) 2_756 2_756 ?
P3 O8 Cs3 90.9(3) . . ?
Y1 O8 Cs3 84.54(18) 2_756 . ?
Cs1 O8 Cs3 139.1(2) 2_756 . ?
Cs4 O8 Cs3 98.73(16) 2_756 . ?
P4 O9 Y2 95.5(3) . . ?
P4 O9 Cs3 119.4(3) . . ?
Y2 O9 Cs3 100.7(2) . . ?
P4 O9 Cs1 152.9(3) . . ?
Y2 O9 Cs1 95.91(17) . . ?
Cs3 O9 Cs1 82.30(14) . . ?
P4 O9 Cs6 89.6(3) . . ?
Y2 O9 Cs6 157.9(2) . . ?
Cs3 O9 Cs6 95.42(17) . . ?
Cs1 O9 Cs6 71.26(12) . . ?
P4 O10 Cs4 176.7(4) . 1_454 ?
P4 O10 Cs6 100.5(3) . . ?
Cs4 O10 Cs6 79.99(15) 1_454 . ?
P4 O10 Cs6 85.7(3) . 2_645 ?
Cs4 O10 Cs6 92.38(17) 1_454 2_645 ?
Cs6 O10 Cs6 152.7(2) . 2_645 ?
P4 O10 Cs5 91.8(3) . 2_745 ?
Cs4 O10 Cs5 90.44(17) 1_454 2_745 ?
Cs6 O10 Cs5 128.66(19) . 2_745 ?
Cs6 O10 Cs5 77.16(15) 2_645 2_745 ?
P4 O11 Y1 159.3(4) . 1_455 ?
P4 O11 Cs6 78.5(3) . 2_645 ?
Y1 O11 Cs6 103.7(2) 1_455 2_645 ?
P4 O11 Cs5 115.7(3) . 1_455 ?
Y1 O11 Cs5 84.82(17) 1_455 1_455 ?
Cs6 O11 Cs5 93.63(15) 2_645 1_455 ?
P4 O11 Cs3 87.6(3) . . ?
Y1 O11 Cs3 86.94(19) 1_455 . ?
Cs6 O11 Cs3 164.49(18) 2_645 . ?
Cs5 O11 Cs3 98.61(17) 1_455 . ?
P4 O12 Y2 96.8(3) . . ?
P4 O12 Cs5 106.1(3) . 2_745 ?
Y2 O12 Cs5 103.3(2) . 2_745 ?
P4 O12 Cs4 134.0(3) . 2_746 ?
Y2 O12 Cs4 98.1(2) . 2_746 ?
Cs5 O12 Cs4 112.31(18) 2_745 2_746 ?
P4 O12 Cs6 83.3(2) . 2_645 ?
Y2 O12 Cs6 174.3(2) . 2_645 ?
Cs5 O12 Cs6 82.18(15) 2_745 2_645 ?
Cs4 O12 Cs6 77.91(13) 2_746 2_645 ?
P1 O13 Y2 164.2(4) . . ?
P1 O13 Cs2 82.4(3) . 2_745 ?
Y2 O13 Cs2 103.8(2) . 2_745 ?
P1 O13 Cs5 101.7(3) . 2_745 ?
Y2 O13 Cs5 94.03(18) . 2_745 ?
Cs2 O13 Cs5 74.29(13) 2_745 2_745 ?
P1 O13 Cs1 86.9(3) . . ?
Y2 O13 Cs1 84.12(18) . . ?
Cs2 O13 Cs1 165.16(18) 2_745 . ?
Cs5 O13 Cs1 118.20(17) 2_745 . ?
P1 O14 Y1 96.0(3) . . ?
P1 O14 Cs1 119.0(3) . . ?
Y1 O14 Cs1 94.63(18) . . ?
P1 O14 Cs5 154.7(3) . . ?
Y1 O14 Cs5 88.70(17) . . ?
Cs1 O14 Cs5 85.28(15) . . ?
P1 O14 Cs2 90.5(2) . . ?
Y1 O14 Cs2 155.0(2) . . ?
Cs1 O14 Cs2 103.32(17) . . ?
Cs5 O14 Cs2 75.72(13) . . ?
P1 O15 Y1 97.0(3) . . ?
P1 O15 Cs3 130.2(3) . 2_746 ?
Y1 O15 Cs3 91.96(18) . 2_746 ?
P1 O15 Cs2 81.7(2) . 2_745 ?
Y1 O15 Cs2 166.8(2) . 2_745 ?
Cs3 O15 Cs2 79.12(14) 2_746 2_745 ?
P1 O15 Cs6 82.7(2) . 2_745 ?
Y1 O15 Cs6 97.76(18) . 2_745 ?
Cs3 O15 Cs6 144.3(2) 2_746 2_745 ?
Cs2 O15 Cs6 95.16(14) 2_745 2_745 ?
P1 O15 Cs4 148.1(3) . 2_846 ?
Y1 O15 Cs4 98.85(17) . 2_846 ?
Cs3 O15 Cs4 76.68(13) 2_746 2_846 ?
Cs2 O15 Cs4 88.67(15) 2_745 2_846 ?
Cs6 O15 Cs4 67.88(10) 2_745 2_846 ?
P1 O16 Cs2 103.3(3) . . ?
P1 O16 Cs6 102.3(3) . 2_745 ?
Cs2 O16 Cs6 93.55(16) . 2_745 ?
P1 O16 Cs2 82.5(3) . 2_745 ?
Cs2 O16 Cs2 158.46(19) . 2_745 ?
Cs6 O16 Cs2 105.60(17) 2_745 2_745 ?
P1 O16 Cs1 176.7(3) . 2_745 ?
Cs2 O16 Cs1 76.35(13) . 2_745 ?
Cs6 O16 Cs1 74.47(13) 2_745 2_745 ?
Cs2 O16 Cs1 99.04(16) 2_745 2_745 ?
P1 O16 Cs5 104.6(3) . 2_745 ?
Cs2 O16 Cs5 83.60(14) . 2_745 ?
Cs6 O16 Cs5 152.9(2) 2_745 2_745 ?
Cs2 O16 Cs5 74.86(12) 2_745 2_745 ?
Cs1 O16 Cs5 78.68(12) 2_745 2_745 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.810
_refine_diff_density_min         -0.965
_refine_diff_density_rms         0.178
####################################################################### 
# 
# 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_Cs6Gd2P4O16
_database_code_depnum_ccdc_archive 'CCDC 1007299'
_audit_update_record             
;
2014-11-10 deposited with the CCDC.
2015-03-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cs6 Gd2 O16 P4'
_chemical_formula_weight         1491.84
_chemical_absolute_configuration ad

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'
P P 0.1023 0.0942 '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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)

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

_cell_length_a                   10.2819(4)
_cell_length_b                   10.4257(4)
_cell_length_c                   10.5785(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.649(2)
_cell_angle_gamma                90.00
_cell_volume                     1080.60(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5877
_cell_measurement_theta_min      2.81
_cell_measurement_theta_max      27.51

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1292
_exptl_absorpt_coefficient_mu    16.406
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.2501
_exptl_absorpt_correction_T_max  0.6280
_exptl_absorpt_process_details   face-indexed"

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14161
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.02
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3714
_reflns_number_gt                3562
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          Twin

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0265P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.470(14)
_refine_ls_number_reflns         3714
_refine_ls_number_parameters     254
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0245
_refine_ls_wR_factor_ref         0.0542
_refine_ls_wR_factor_gt          0.0531
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 1.27794(7) 0.39687(7) 0.01855(7) 0.02588(18) Uani 1 1 d . . .
Cs2 Cs 0.48001(7) 0.82034(7) 0.22232(6) 0.02167(16) Uani 1 1 d . . .
Cs3 Cs 0.96544(7) -0.23392(6) 0.33469(7) 0.02203(16) Uani 1 1 d . . .
Cs4 Cs 0.66757(6) 0.01817(7) 0.54597(6) 0.02047(15) Uani 1 1 d . . .
Cs5 Cs 0.99050(7) 0.41645(7) 0.21093(7) 0.02002(16) Uani 1 1 d . . .
Cs6 Cs 0.72550(7) 0.47689(7) 0.43617(7) 0.02503(17) Uani 1 1 d . . .
Gd1 Gd 1.15822(5) 0.06468(4) 0.16278(5) 0.01203(12) Uani 1 1 d . . .
Gd2 Gd 0.65666(5) 0.20821(5) 0.16382(5) 0.01108(12) Uani 1 1 d . . .
P1 P 0.9029(3) 0.0863(3) 0.3545(2) 0.0110(6) Uani 1 1 d . . .
P2 P 0.6383(3) 0.5548(3) 0.0766(3) 0.0101(5) Uani 1 1 d . . .
P3 P 0.3998(3) 0.1965(3) 0.3490(3) 0.0118(6) Uani 1 1 d . . .
P4 P 0.8663(3) 0.2179(3) -0.0779(3) 0.0112(6) Uani 1 1 d . . .
O1 O 1.0222(7) 0.0664(7) 0.2973(7) 0.0220(18) Uani 1 1 d . . .
O2 O 0.7723(6) 0.0189(7) 0.2605(6) 0.0160(15) Uani 1 1 d . . .
O3 O 0.9435(6) 0.0305(7) 0.4935(6) 0.0163(16) Uani 1 1 d . . .
O4 O 0.3669(7) 0.0489(6) 0.3331(6) 0.0139(16) Uani 1 1 d . . .
O5 O 0.4347(7) 0.2359(7) 0.4932(7) 0.0202(17) Uani 1 1 d . . .
O6 O 0.2682(6) 0.2606(6) 0.2590(6) 0.0133(15) Uani 1 1 d . . .
O7 O 0.5205(7) 0.2242(7) 0.2946(7) 0.0219(18) Uani 1 1 d . . .
O8 O 0.7082(7) 0.6398(7) 0.1949(7) 0.0226(18) Uani 1 1 d . . .
O9 O 0.6183(7) 0.4177(7) 0.1252(7) 0.0215(17) Uani 1 1 d . . .
O10 O 0.4966(7) 0.6080(7) 0.0016(7) 0.0202(17) Uani 1 1 d . . .
O11 O 0.7217(7) 0.5433(8) -0.0183(8) 0.026(2) Uani 1 1 d . . .
O12 O 0.8816(8) 0.3528(7) -0.1273(8) 0.0269(19) Uani 1 1 d . . .
O13 O 0.7795(7) 0.2192(7) 0.0180(7) 0.0178(17) Uani 1 1 d . . .
O14 O 1.0092(7) 0.1737(8) 0.0001(8) 0.0275(19) Uani 1 1 d . . .
O15 O 0.8042(7) 0.1303(8) -0.1945(8) 0.030(2) Uani 1 1 d . . .
O16 O 0.8594(6) 0.2291(7) 0.3497(6) 0.0142(16) Uani 1 1 d . . .


_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 O6 2.942(6) 1_655 ?
Cs1 O2 3.110(7) 2_755 ?
Cs1 O10 3.191(7) 1_655 ?
Cs1 O15 3.325(8) 2_755 ?
Cs1 O9 3.343(7) 1_655 ?
Cs1 O13 3.414(7) 2_755 ?
Cs1 O8 3.535(7) 2_745 ?
Cs1 O14 3.572(8) . ?
Cs1 O7 3.684(7) 1_655 ?
Cs1 O11 3.687(8) 2_745 ?
Cs1 P4 3.789(3) 2_755 ?
Cs1 P2 3.873(3) 2_745 ?
Cs2 O5 3.000(7) 2_656 ?
Cs2 O4 3.038(6) 1_565 ?
Cs2 O8 3.089(7) . ?
Cs2 O13 3.253(7) 2_655 ?
Cs2 O10 3.259(8) . ?
Cs2 O11 3.413(8) 2_655 ?
Cs2 O15 3.468(8) 2_655 ?
Cs2 O12 3.561(8) 2_655 ?
Cs2 O2 3.569(7) 1_565 ?
Cs2 P4 3.585(3) 2_655 ?
Cs2 O9 3.649(7) 2_655 ?
Cs2 P2 3.889(3) 2_655 ?
Cs3 O8 2.923(7) 1_545 ?
Cs3 O3 3.030(7) 2_746 ?
Cs3 O12 3.194(7) 2_745 ?
Cs3 O1 3.232(8) . ?
Cs3 O2 3.250(7) . ?
Cs3 O3 3.272(7) . ?
Cs3 O16 3.300(7) 2_746 ?
Cs3 O15 3.455(8) 2_745 ?
Cs3 P1 3.668(3) 2_746 ?
Cs3 P4 3.671(2) 2_745 ?
Cs3 O14 3.755(8) 2_745 ?
Cs3 Cs5 3.9079(10) 1_545 ?
Cs4 O15 2.922(7) 1_556 ?
Cs4 O3 3.054(6) . ?
Cs4 O5 3.110(7) 2_646 ?
Cs4 O5 3.223(7) . ?
Cs4 O4 3.242(7) . ?
Cs4 O6 3.328(7) 2_646 ?
Cs4 O7 3.396(7) . ?
Cs4 O2 3.500(6) . ?
Cs4 P3 3.665(3) 2_646 ?
Cs4 Cs5 3.8231(9) 2_746 ?
Cs4 Cs2 3.9612(9) 1_545 ?
Cs4 Cs6 4.1253(9) 2_646 ?
Cs5 O16 2.998(7) . ?
Cs5 O15 3.111(8) 2_755 ?
Cs5 O6 3.189(6) 1_655 ?
Cs5 O3 3.219(6) 2_756 ?
Cs5 O13 3.227(7) . ?
Cs5 O11 3.347(8) . ?
Cs5 O14 3.417(8) . ?
Cs5 O12 3.473(8) . ?
Cs5 O14 3.490(8) 2_755 ?
Cs5 O9 3.655(7) . ?
Cs5 O8 3.685(7) . ?
Cs5 O1 3.752(7) . ?
Cs6 O4 2.972(6) 2_656 ?
Cs6 O8 3.026(7) . ?
Cs6 O16 3.189(7) . ?
Cs6 O9 3.197(7) . ?
Cs6 O3 3.304(6) 2_756 ?
Cs6 O1 3.334(7) 2_756 ?
Cs6 O5 3.363(7) 2_656 ?
Cs6 O7 3.423(8) . ?
Cs6 P3 3.720(3) 2_656 ?
Cs6 P1 3.959(3) 2_756 ?
Cs6 Cs3 4.0166(10) 2_756 ?
Cs6 Cs4 4.1252(9) 2_656 ?
Gd1 O14 2.236(8) . ?
Gd1 O11 2.248(6) 2_745 ?
Gd1 O12 2.257(7) 2_745 ?
Gd1 O1 2.278(6) . ?
Gd1 O4 2.352(7) 1_655 ?
Gd1 O6 2.406(7) 1_655 ?
Gd1 P3 2.995(3) 1_655 ?
Gd1 Cs2 4.0704(8) 1_645 ?
Gd1 Cs5 4.0853(8) 2_745 ?
Gd1 Cs6 4.1462(8) 2_746 ?
Gd1 Cs1 4.6515(9) 2_745 ?
Gd2 O10 2.228(7) 2_645 ?
Gd2 O9 2.235(7) . ?
Gd2 O7 2.253(6) . ?
Gd2 O13 2.273(6) . ?
Gd2 O2 2.370(7) . ?
Gd2 O16 2.403(6) . ?
Gd2 Cs1 3.9366(8) 2_745 ?
Gd2 Cs2 4.0677(8) 2_645 ?
Gd2 Cs1 4.2148(9) 1_455 ?
Gd2 Cs2 4.5515(9) 1_545 ?
P1 O3 1.517(7) . ?
P1 O1 1.538(6) . ?
P1 O16 1.551(7) . ?
P1 O2 1.574(7) . ?
P1 Cs3 3.668(3) 2_756 ?
P1 Cs6 3.959(3) 2_746 ?
P2 O11 1.510(7) . ?
P2 O8 1.524(8) . ?
P2 O10 1.536(7) . ?
P2 O9 1.553(7) . ?
P2 Cs1 3.873(3) 2_755 ?
P2 Cs2 3.889(3) 2_645 ?
P2 Cs1 3.929(3) 1_455 ?
P2 Cs3 4.248(3) 1_565 ?
P3 O5 1.514(7) . ?
P3 O7 1.545(7) . ?
P3 O6 1.550(7) . ?
P3 O4 1.573(7) . ?
P3 Gd1 2.995(3) 1_455 ?
P3 Cs4 3.665(3) 2_656 ?
P3 Cs6 3.720(3) 2_646 ?
P3 Cs1 3.937(3) 1_455 ?
P4 O15 1.511(8) . ?
P4 O14 1.522(8) . ?
P4 O12 1.525(8) . ?
P4 O13 1.541(6) . ?
P4 Cs2 3.585(3) 2_645 ?
P4 Cs3 3.671(2) 2_755 ?
P4 Cs1 3.789(3) 2_745 ?
P4 Cs5 3.909(3) 2_745 ?
O1 Cs6 3.334(7) 2_746 ?
O2 Cs1 3.110(7) 2_745 ?
O2 Cs2 3.569(7) 1_545 ?
O3 Cs3 3.030(7) 2_756 ?
O3 Cs5 3.219(6) 2_746 ?
O3 Cs6 3.304(6) 2_746 ?
O4 Gd1 2.352(7) 1_455 ?
O4 Cs6 2.972(6) 2_646 ?
O4 Cs2 3.038(6) 1_545 ?
O5 Cs2 3.000(7) 2_646 ?
O5 Cs4 3.110(7) 2_656 ?
O5 Cs6 3.363(7) 2_646 ?
O6 Gd1 2.406(7) 1_455 ?
O6 Cs1 2.942(6) 1_455 ?
O6 Cs5 3.189(6) 1_455 ?
O6 Cs4 3.328(7) 2_656 ?
O7 Cs1 3.684(7) 1_455 ?
O8 Cs3 2.923(7) 1_565 ?
O8 Cs1 3.535(7) 2_755 ?
O9 Cs1 3.343(7) 1_455 ?
O9 Cs2 3.649(7) 2_645 ?
O10 Gd2 2.228(7) 2_655 ?
O10 Cs1 3.191(7) 1_455 ?
O11 Gd1 2.248(6) 2_755 ?
O11 Cs2 3.413(8) 2_645 ?
O11 Cs1 3.687(8) 2_755 ?
O12 Gd1 2.257(7) 2_755 ?
O12 Cs3 3.193(7) 2_755 ?
O12 Cs2 3.561(8) 2_645 ?
O13 Cs2 3.253(7) 2_645 ?
O13 Cs1 3.414(7) 2_745 ?
O14 Cs5 3.490(8) 2_745 ?
O14 Cs3 3.755(8) 2_755 ?
O15 Cs4 2.922(7) 1_554 ?
O15 Cs5 3.111(8) 2_745 ?
O15 Cs1 3.325(8) 2_745 ?
O15 Cs3 3.455(8) 2_755 ?
O15 Cs2 3.468(8) 2_645 ?
O16 Cs3 3.300(7) 2_756 ?

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
O6 Cs1 O2 168.19(18) 1_655 2_755 ?
O6 Cs1 O10 126.24(19) 1_655 1_655 ?
O2 Cs1 O10 65.26(18) 2_755 1_655 ?
O6 Cs1 O15 77.78(18) 1_655 2_755 ?
O2 Cs1 O15 103.58(18) 2_755 2_755 ?
O10 Cs1 O15 80.18(18) 1_655 2_755 ?
O6 Cs1 O9 92.65(17) 1_655 1_655 ?
O2 Cs1 O9 98.58(16) 2_755 1_655 ?
O10 Cs1 O9 44.81(17) 1_655 1_655 ?
O15 Cs1 O9 100.44(17) 2_755 1_655 ?
O6 Cs1 O13 121.55(17) 1_655 2_755 ?
O2 Cs1 O13 61.10(17) 2_755 2_755 ?
O10 Cs1 O13 54.20(16) 1_655 2_755 ?
O15 Cs1 O13 43.80(17) 2_755 2_755 ?
O9 Cs1 O13 95.84(17) 1_655 2_755 ?
O6 Cs1 O8 101.82(18) 1_655 2_745 ?
O2 Cs1 O8 74.39(17) 2_755 2_745 ?
O10 Cs1 O8 108.76(18) 1_655 2_745 ?
O15 Cs1 O8 168.18(19) 2_755 2_745 ?
O9 Cs1 O8 91.38(16) 1_655 2_745 ?
O13 Cs1 O8 135.48(16) 2_755 2_745 ?
O6 Cs1 O14 60.27(18) 1_655 . ?
O2 Cs1 O14 108.15(17) 2_755 . ?
O10 Cs1 O14 173.2(2) 1_655 . ?
O15 Cs1 O14 100.59(18) 2_755 . ?
O9 Cs1 O14 140.73(18) 1_655 . ?
O13 Cs1 O14 122.05(16) 2_755 . ?
O8 Cs1 O14 69.61(16) 2_745 . ?
O6 Cs1 O7 43.19(15) 1_655 1_655 ?
O2 Cs1 O7 146.08(15) 2_755 1_655 ?
O10 Cs1 O7 93.59(17) 1_655 1_655 ?
O15 Cs1 O7 98.04(17) 2_755 1_655 ?
O9 Cs1 O7 51.42(16) 1_655 1_655 ?
O13 Cs1 O7 128.55(17) 2_755 1_655 ?
O8 Cs1 O7 89.26(16) 2_745 1_655 ?
O14 Cs1 O7 92.94(16) . 1_655 ?
O6 Cs1 O11 61.20(17) 1_655 2_745 ?
O2 Cs1 O11 114.08(18) 2_755 2_745 ?
O10 Cs1 O11 133.56(16) 1_655 2_745 ?
O15 Cs1 O11 137.13(16) 2_755 2_745 ?
O9 Cs1 O11 93.68(17) 1_655 2_745 ?
O13 Cs1 O11 169.91(18) 2_755 2_745 ?
O8 Cs1 O11 40.64(16) 2_745 2_745 ?
O14 Cs1 O11 49.42(16) . 2_745 ?
O7 Cs1 O11 60.75(17) 1_655 2_745 ?
O6 Cs1 P4 99.52(13) 1_655 2_755 ?
O2 Cs1 P4 80.53(14) 2_755 2_755 ?
O10 Cs1 P4 73.61(13) 1_655 2_755 ?
O15 Cs1 P4 23.38(13) 2_755 2_755 ?
O9 Cs1 P4 107.99(13) 1_655 2_755 ?
O13 Cs1 P4 23.99(11) 2_755 2_755 ?
O8 Cs1 P4 150.34(12) 2_745 2_755 ?
O14 Cs1 P4 104.43(13) . 2_755 ?
O7 Cs1 P4 120.34(12) 1_655 2_755 ?
O11 Cs1 P4 152.11(11) 2_745 2_755 ?
O6 Cs1 P2 81.30(13) 1_655 2_745 ?
O2 Cs1 P2 96.65(14) 2_755 2_745 ?
O10 Cs1 P2 113.88(13) 1_655 2_745 ?
O15 Cs1 P2 159.04(13) 2_755 2_745 ?
O9 Cs1 P2 81.67(13) 1_655 2_745 ?
O13 Cs1 P2 157.15(12) 2_755 2_745 ?
O8 Cs1 P2 23.17(12) 2_745 2_745 ?
O14 Cs1 P2 67.37(13) . 2_745 ?
O7 Cs1 P2 66.77(12) 1_655 2_745 ?
O11 Cs1 P2 22.87(10) 2_745 2_745 ?
P4 Cs1 P2 170.19(6) 2_755 2_745 ?
O5 Cs2 O4 82.71(18) 2_656 1_565 ?
O5 Cs2 O8 85.18(18) 2_656 . ?
O4 Cs2 O8 154.75(19) 1_565 . ?
O5 Cs2 O13 127.59(18) 2_656 2_655 ?
O4 Cs2 O13 103.68(17) 1_565 2_655 ?
O8 Cs2 O13 101.28(18) . 2_655 ?
O5 Cs2 O10 117.16(19) 2_656 . ?
O4 Cs2 O10 156.68(18) 1_565 . ?
O8 Cs2 O10 46.58(18) . . ?
O13 Cs2 O10 55.16(16) 2_655 . ?
O5 Cs2 O11 140.45(18) 2_656 2_655 ?
O4 Cs2 O11 58.63(16) 1_565 2_655 ?
O8 Cs2 O11 133.52(18) . 2_655 ?
O13 Cs2 O11 61.91(17) 2_655 2_655 ?
O10 Cs2 O11 99.39(18) . 2_655 ?
O5 Cs2 O15 84.27(18) 2_656 2_655 ?
O4 Cs2 O15 93.99(19) 1_565 2_655 ?
O8 Cs2 O15 106.8(2) . 2_655 ?
O13 Cs2 O15 43.80(17) 2_655 2_655 ?
O10 Cs2 O15 77.13(18) . 2_655 ?
O11 Cs2 O15 90.02(18) 2_655 2_655 ?
O5 Cs2 O12 105.89(18) 2_656 2_655 ?
O4 Cs2 O12 62.97(17) 1_565 2_655 ?
O8 Cs2 O12 142.09(18) . 2_655 ?
O13 Cs2 O12 43.22(16) 2_655 2_655 ?
O10 Cs2 O12 98.00(17) . 2_655 ?
O11 Cs2 O12 51.28(17) 2_655 2_655 ?
O15 Cs2 O12 41.37(17) 2_655 2_655 ?
O5 Cs2 O2 94.39(17) 2_656 1_565 ?
O4 Cs2 O2 84.78(16) 1_565 1_565 ?
O8 Cs2 O2 74.13(17) . 1_565 ?
O13 Cs2 O2 137.67(16) 2_655 1_565 ?
O10 Cs2 O2 104.45(17) . 1_565 ?
O11 Cs2 O2 90.35(16) 2_655 1_565 ?
O15 Cs2 O2 178.29(17) 2_655 1_565 ?
O12 Cs2 O2 138.41(16) 2_655 1_565 ?
O5 Cs2 P4 106.89(14) 2_656 2_655 ?
O4 Cs2 P4 87.20(13) 1_565 2_655 ?
O8 Cs2 P4 117.58(14) . 2_655 ?
O13 Cs2 P4 25.46(11) 2_655 2_655 ?
O10 Cs2 P4 75.73(13) . 2_655 ?
O11 Cs2 P4 66.35(13) 2_655 2_655 ?
O15 Cs2 P4 24.67(13) 2_655 2_655 ?
O12 Cs2 P4 24.64(12) 2_655 2_655 ?
O2 Cs2 P4 156.10(12) 1_565 2_655 ?
O5 Cs2 O9 178.69(17) 2_656 2_655 ?
O4 Cs2 O9 98.55(16) 1_565 2_655 ?
O8 Cs2 O9 93.51(17) . 2_655 ?
O13 Cs2 O9 52.53(17) 2_655 2_655 ?
O10 Cs2 O9 61.69(16) . 2_655 ?
O11 Cs2 O9 40.86(15) 2_655 2_655 ?
O15 Cs2 O9 96.00(17) 2_655 2_655 ?
O12 Cs2 O9 75.07(16) 2_655 2_655 ?
O2 Cs2 O9 85.37(15) 1_565 2_655 ?
P4 Cs2 O9 73.60(12) 2_655 2_655 ?
O5 Cs2 P2 157.59(15) 2_656 2_655 ?
O4 Cs2 P2 76.03(12) 1_565 2_655 ?
O8 Cs2 P2 111.46(14) . 2_655 ?
O13 Cs2 P2 65.66(13) 2_655 2_655 ?
O10 Cs2 P2 85.16(13) . 2_655 ?
O11 Cs2 P2 22.68(11) 2_655 2_655 ?
O15 Cs2 P2 104.01(13) 2_655 2_655 ?
O12 Cs2 P2 70.62(12) 2_655 2_655 ?
O2 Cs2 P2 76.87(11) 1_565 2_655 ?
P4 Cs2 P2 79.35(6) 2_655 2_655 ?
O9 Cs2 P2 23.50(12) 2_655 2_655 ?
O8 Cs3 O3 90.35(18) 1_545 2_746 ?
O8 Cs3 O12 109.8(2) 1_545 2_745 ?
O3 Cs3 O12 120.97(18) 2_746 2_745 ?
O8 Cs3 O1 122.94(19) 1_545 . ?
O3 Cs3 O1 145.54(18) 2_746 . ?
O12 Cs3 O1 59.78(17) 2_745 . ?
O8 Cs3 O2 81.37(19) 1_545 . ?
O3 Cs3 O2 149.01(16) 2_746 . ?
O12 Cs3 O2 89.82(18) 2_745 . ?
O1 Cs3 O2 45.93(16) . . ?
O8 Cs3 O3 116.52(18) 1_545 . ?
O3 Cs3 O3 115.59(3) 2_746 . ?
O12 Cs3 O3 103.85(17) 2_745 . ?
O1 Cs3 O3 44.72(16) . . ?
O2 Cs3 O3 46.24(16) . . ?
O8 Cs3 O16 126.29(18) 1_545 2_746 ?
O3 Cs3 O16 47.45(17) 2_746 2_746 ?
O12 Cs3 O16 119.78(18) 2_745 2_746 ?
O1 Cs3 O16 100.00(18) . 2_746 ?
O2 Cs3 O16 116.44(16) . 2_746 ?
O3 Cs3 O16 71.37(16) . 2_746 ?
O8 Cs3 O15 103.4(2) 1_545 2_745 ?
O3 Cs3 O15 78.35(17) 2_746 2_745 ?
O12 Cs3 O15 43.67(18) 2_745 2_745 ?
O1 Cs3 O15 99.88(17) . 2_745 ?
O2 Cs3 O15 132.59(17) . 2_745 ?
O3 Cs3 O15 136.76(17) . 2_745 ?
O16 Cs3 O15 98.70(17) 2_746 2_745 ?
O8 Cs3 P1 104.76(15) 1_545 2_746 ?
O3 Cs3 P1 23.82(12) 2_746 2_746 ?
O12 Cs3 P1 129.47(15) 2_745 2_746 ?
O1 Cs3 P1 125.00(14) . 2_746 ?
O2 Cs3 P1 131.54(12) . 2_746 ?
O3 Cs3 P1 91.98(12) . 2_746 ?
O16 Cs3 P1 25.01(12) 2_746 2_746 ?
O15 Cs3 P1 93.48(13) 2_745 2_746 ?
O8 Cs3 P4 96.96(14) 1_545 2_745 ?
O3 Cs3 P4 101.75(12) 2_746 2_745 ?
O12 Cs3 P4 24.42(13) 2_745 2_745 ?
O1 Cs3 P4 84.20(12) . 2_745 ?
O2 Cs3 P4 108.85(12) . 2_745 ?
O3 Cs3 P4 128.07(12) . 2_745 ?
O16 Cs3 P4 119.82(11) 2_746 2_745 ?
O15 Cs3 P4 24.25(13) 2_745 2_745 ?
P1 Cs3 P4 117.69(6) 2_746 2_745 ?
O8 Cs3 O14 73.63(17) 1_545 2_745 ?
O3 Cs3 O14 105.12(18) 2_746 2_745 ?
O12 Cs3 O14 40.09(18) 2_745 2_745 ?
O1 Cs3 O14 93.80(17) . 2_745 ?
O2 Cs3 O14 101.09(17) . 2_745 ?
O3 Cs3 O14 137.37(17) . 2_745 ?
O16 Cs3 O14 138.72(16) 2_746 2_745 ?
O15 Cs3 O14 40.32(17) 2_745 2_745 ?
P1 Cs3 O14 127.02(13) 2_746 2_745 ?
P4 Cs3 O14 23.63(11) 2_745 2_745 ?
O8 Cs3 Cs5 63.38(14) 1_545 1_545 ?
O3 Cs3 Cs5 53.50(12) 2_746 1_545 ?
O12 Cs3 Cs5 86.42(13) 2_745 1_545 ?
O1 Cs3 Cs5 146.11(11) . 1_545 ?
O2 Cs3 Cs5 140.63(12) . 1_545 ?
O3 Cs3 Cs5 168.48(11) . 1_545 ?
O16 Cs3 Cs5 99.13(12) 2_746 1_545 ?
O15 Cs3 Cs5 49.52(14) 2_745 1_545 ?
P1 Cs3 Cs5 77.28(4) 2_746 1_545 ?
P4 Cs3 Cs5 62.01(4) 2_745 1_545 ?
O14 Cs3 Cs5 54.15(13) 2_745 1_545 ?
O15 Cs4 O3 86.86(19) 1_556 . ?
O15 Cs4 O5 123.4(2) 1_556 2_646 ?
O3 Cs4 O5 108.11(19) . 2_646 ?
O15 Cs4 O5 90.1(2) 1_556 . ?
O3 Cs4 O5 128.39(19) . . ?
O5 Cs4 O5 116.10(6) 2_646 . ?
O15 Cs4 O4 134.32(18) 1_556 . ?
O3 Cs4 O4 127.75(16) . . ?
O5 Cs4 O4 77.79(17) 2_646 . ?
O5 Cs4 O4 46.21(16) . . ?
O15 Cs4 O6 78.0(2) 1_556 2_646 ?
O3 Cs4 O6 97.24(16) . 2_646 ?
O5 Cs4 O6 46.74(17) 2_646 2_646 ?
O5 Cs4 O6 132.30(16) . 2_646 ?
O4 Cs4 O6 118.60(15) . 2_646 ?
O15 Cs4 O7 117.1(2) 1_556 . ?
O3 Cs4 O7 92.79(16) . . ?
O5 Cs4 O7 116.22(18) 2_646 . ?
O5 Cs4 O7 44.58(16) . . ?
O4 Cs4 O7 44.68(16) . . ?
O6 Cs4 O7 162.40(16) 2_646 . ?
O15 Cs4 O2 128.59(18) 1_556 . ?
O3 Cs4 O2 45.37(16) . . ?
O5 Cs4 O2 93.84(17) 2_646 . ?
O5 Cs4 O2 104.82(16) . . ?
O4 Cs4 O2 83.01(15) . . ?
O6 Cs4 O2 118.77(16) 2_646 . ?
O7 Cs4 O2 60.24(16) . . ?
O15 Cs4 P3 99.36(17) 1_556 2_646 ?
O3 Cs4 P3 111.41(14) . 2_646 ?
O5 Cs4 P3 24.09(13) 2_646 2_646 ?
O5 Cs4 P3 119.89(13) . 2_646 ?
O4 Cs4 P3 94.20(12) . 2_646 ?
O6 Cs4 P3 25.02(11) 2_646 2_646 ?
O7 Cs4 P3 137.39(13) . 2_646 ?
O2 Cs4 P3 113.53(13) . 2_646 ?
O15 Cs4 Cs5 52.91(15) 1_556 2_746 ?
O3 Cs4 Cs5 54.45(12) . 2_746 ?
O5 Cs4 Cs5 91.83(13) 2_646 2_746 ?
O5 Cs4 Cs5 142.69(12) . 2_746 ?
O4 Cs4 Cs5 169.57(11) . 2_746 ?
O6 Cs4 Cs5 52.41(11) 2_646 2_746 ?
O7 Cs4 Cs5 143.38(11) . 2_746 ?
O2 Cs4 Cs5 96.91(11) . 2_746 ?
P3 Cs4 Cs5 76.23(4) 2_646 2_746 ?
O15 Cs4 Cs2 171.79(17) 1_556 1_545 ?
O3 Cs4 Cs2 95.77(13) . 1_545 ?
O5 Cs4 Cs2 48.39(12) 2_646 1_545 ?
O5 Cs4 Cs2 94.33(12) . 1_545 ?
O4 Cs4 Cs2 48.65(11) . 1_545 ?
O6 Cs4 Cs2 93.94(11) 2_646 1_545 ?
O7 Cs4 Cs2 70.61(13) . 1_545 ?
O2 Cs4 Cs2 56.76(11) . 1_545 ?
P3 Cs4 Cs2 72.44(4) 2_646 1_545 ?
Cs5 Cs4 Cs2 122.98(2) 2_746 1_545 ?
O15 Cs4 Cs6 101.39(14) 1_556 2_646 ?
O3 Cs4 Cs6 171.74(13) . 2_646 ?
O5 Cs4 Cs6 67.11(12) 2_646 2_646 ?
O5 Cs4 Cs6 52.75(12) . 2_646 ?
O4 Cs4 Cs6 45.65(11) . 2_646 ?
O6 Cs4 Cs6 84.29(10) 2_646 2_646 ?
O7 Cs4 Cs6 83.79(11) . 2_646 ?
O2 Cs4 Cs6 126.99(11) . 2_646 ?
P3 Cs4 Cs6 67.22(4) 2_646 2_646 ?
Cs5 Cs4 Cs6 130.86(2) 2_746 2_646 ?
Cs2 Cs4 Cs6 76.011(17) 1_545 2_646 ?
O16 Cs5 O15 155.19(19) . 2_755 ?
O16 Cs5 O6 95.96(17) . 1_655 ?
O15 Cs5 O6 77.54(18) 2_755 1_655 ?
O16 Cs5 O3 76.04(17) . 2_756 ?
O15 Cs5 O3 80.95(19) 2_755 2_756 ?
O6 Cs5 O3 96.80(16) 1_655 2_756 ?
O16 Cs5 O13 65.08(17) . . ?
O15 Cs5 O13 139.35(19) 2_755 . ?
O6 Cs5 O13 100.02(17) 1_655 . ?
O3 Cs5 O13 138.84(16) 2_756 . ?
O16 Cs5 O11 102.53(17) . . ?
O15 Cs5 O11 95.83(18) 2_755 . ?
O6 Cs5 O11 145.04(17) 1_655 . ?
O3 Cs5 O11 116.25(17) 2_756 . ?
O13 Cs5 O11 62.90(18) . . ?
O16 Cs5 O14 87.69(17) . . ?
O15 Cs5 O14 108.7(2) 2_755 . ?
O6 Cs5 O14 60.13(17) 1_655 . ?
O3 Cs5 O14 150.51(18) 2_756 . ?
O13 Cs5 O14 43.57(16) . . ?
O11 Cs5 O14 90.99(19) . . ?
O16 Cs5 O12 109.12(18) . . ?
O15 Cs5 O12 95.27(19) 2_755 . ?
O6 Cs5 O12 93.46(17) 1_655 . ?
O3 Cs5 O12 168.00(17) 2_756 . ?
O13 Cs5 O12 44.10(16) . . ?
O11 Cs5 O12 52.54(18) . . ?
O14 Cs5 O12 41.46(18) . . ?
O16 Cs5 O14 154.37(17) . 2_755 ?
O15 Cs5 O14 44.06(18) 2_755 2_755 ?
O6 Cs5 O14 108.61(17) 1_655 2_755 ?
O3 Cs5 O14 107.25(18) 2_756 2_755 ?
O13 Cs5 O14 102.46(18) . 2_755 ?
O11 Cs5 O14 52.68(17) . 2_755 ?
O14 Cs5 O14 98.079(19) . 2_755 ?
O12 Cs5 O14 63.29(17) . 2_755 ?
O16 Cs5 O9 62.06(16) . . ?
O15 Cs5 O9 131.33(18) 2_755 . ?
O6 Cs5 O9 149.40(17) 1_655 . ?
O3 Cs5 O9 97.83(15) 2_756 . ?
O13 Cs5 O9 52.62(17) . . ?
O11 Cs5 O9 41.10(16) . . ?
O14 Cs5 O9 95.89(17) . . ?
O12 Cs5 O9 76.04(16) . . ?
O14 Cs5 O9 92.43(16) 2_755 . ?
O16 Cs5 O8 88.25(16) . . ?
O15 Cs5 O8 94.7(2) 2_755 . ?
O6 Cs5 O8 169.72(17) 1_655 . ?
O3 Cs5 O8 75.07(16) 2_756 . ?
O13 Cs5 O8 90.26(17) . . ?
O11 Cs5 O8 41.50(17) . . ?
O14 Cs5 O8 129.61(16) . . ?
O12 Cs5 O8 94.01(16) . . ?
O14 Cs5 O8 68.80(16) 2_755 . ?
O9 Cs5 O8 40.15(16) . . ?
O16 Cs5 O1 42.77(15) . . ?
O15 Cs5 O1 134.46(17) 2_755 . ?
O6 Cs5 O1 57.19(15) 1_655 . ?
O3 Cs5 O1 98.38(17) 2_756 . ?
O13 Cs5 O1 61.73(17) . . ?
O11 Cs5 O1 123.52(18) . . ?
O14 Cs5 O1 54.59(17) . . ?
O12 Cs5 O1 92.40(16) . . ?
O14 Cs5 O1 152.41(16) 2_755 . ?
O9 Cs5 O1 94.07(15) . . ?
O8 Cs5 O1 129.42(15) . . ?
O4 Cs6 O8 126.81(19) 2_656 . ?
O4 Cs6 O16 135.53(18) 2_656 . ?
O8 Cs6 O16 97.65(17) . . ?
O4 Cs6 O9 142.92(18) 2_656 . ?
O8 Cs6 O9 47.67(18) . . ?
O16 Cs6 O9 65.96(17) . . ?
O4 Cs6 O3 109.65(16) 2_656 2_756 ?
O8 Cs6 O3 83.57(18) . 2_756 ?
O16 Cs6 O3 72.36(17) . 2_756 ?
O9 Cs6 O3 105.94(16) . 2_756 ?
O4 Cs6 O1 66.11(16) 2_656 2_756 ?
O8 Cs6 O1 112.82(18) . 2_756 ?
O16 Cs6 O1 100.17(17) . 2_756 ?
O9 Cs6 O1 149.48(16) . 2_756 ?
O3 Cs6 O1 43.77(15) 2_756 2_756 ?
O4 Cs6 O5 46.72(16) 2_656 2_656 ?
O8 Cs6 O5 80.16(17) . 2_656 ?
O16 Cs6 O5 175.82(17) . 2_656 ?
O9 Cs6 O5 110.15(17) . 2_656 ?
O3 Cs6 O5 110.76(18) 2_756 2_656 ?
O1 Cs6 O5 83.98(17) 2_756 2_656 ?
O4 Cs6 O7 104.25(16) 2_656 . ?
O8 Cs6 O7 101.08(18) . . ?
O16 Cs6 O7 60.86(16) . . ?
O9 Cs6 O7 55.02(17) . . ?
O3 Cs6 O7 133.21(16) 2_756 . ?
O1 Cs6 O7 143.49(19) 2_756 . ?
O5 Cs6 O7 115.92(17) 2_656 . ?
O4 Cs6 P3 24.01(13) 2_656 2_656 ?
O8 Cs6 P3 103.13(14) . 2_656 ?
O16 Cs6 P3 158.94(13) . 2_656 ?
O9 Cs6 P3 132.24(13) . 2_656 ?
O3 Cs6 P3 106.38(12) 2_756 2_656 ?
O1 Cs6 P3 68.64(12) 2_756 2_656 ?
O5 Cs6 P3 24.01(12) 2_656 2_656 ?
O7 Cs6 P3 117.36(12) . 2_656 ?
O4 Cs6 P1 87.84(13) 2_656 2_756 ?
O8 Cs6 P1 96.31(14) . 2_756 ?
O16 Cs6 P1 88.09(12) . 2_756 ?
O9 Cs6 P1 127.18(12) . 2_756 ?
O3 Cs6 P1 21.81(11) 2_756 2_756 ?
O1 Cs6 P1 22.30(11) 2_756 2_756 ?
O5 Cs6 P1 95.67(13) 2_656 2_756 ?
O7 Cs6 P1 145.95(13) . 2_756 ?
P3 Cs6 P1 86.28(6) 2_656 2_756 ?
O4 Cs6 Cs3 91.95(13) 2_656 2_756 ?
O8 Cs6 Cs3 130.51(14) . 2_756 ?
O16 Cs6 Cs3 53.02(12) . 2_756 ?
O9 Cs6 Cs3 118.57(13) . 2_756 ?
O3 Cs6 Cs3 51.99(12) 2_756 2_756 ?
O1 Cs6 Cs3 51.14(13) 2_756 2_756 ?
O5 Cs6 Cs3 131.02(12) 2_656 2_756 ?
O7 Cs6 Cs3 96.46(13) . 2_756 ?
P3 Cs6 Cs3 108.97(5) 2_656 2_756 ?
P1 Cs6 Cs3 50.76(4) 2_756 2_756 ?
O4 Cs6 Cs4 51.28(13) 2_656 2_656 ?
O8 Cs6 Cs4 99.92(14) . 2_656 ?
O16 Cs6 Cs4 127.71(12) . 2_656 ?
O9 Cs6 Cs4 91.74(12) . 2_656 ?
O3 Cs6 Cs4 158.23(11) 2_756 2_656 ?
O1 Cs6 Cs4 116.99(10) 2_756 2_656 ?
O5 Cs6 Cs4 49.72(12) 2_656 2_656 ?
O7 Cs6 Cs4 67.56(11) . 2_656 ?
P3 Cs6 Cs4 51.86(4) 2_656 2_656 ?
P1 Cs6 Cs4 137.49(4) 2_756 2_656 ?
Cs3 Cs6 Cs4 129.51(2) 2_756 2_656 ?
O14 Gd1 O11 85.2(3) . 2_745 ?
O14 Gd1 O12 108.8(3) . 2_745 ?
O11 Gd1 O12 84.2(3) 2_745 2_745 ?
O14 Gd1 O1 94.0(3) . . ?
O11 Gd1 O1 173.4(3) 2_745 . ?
O12 Gd1 O1 89.8(3) 2_745 . ?
O14 Gd1 O4 151.4(3) . 1_655 ?
O11 Gd1 O4 87.3(2) 2_745 1_655 ?
O12 Gd1 O4 97.8(3) 2_745 1_655 ?
O1 Gd1 O4 96.5(2) . 1_655 ?
O14 Gd1 O6 91.1(3) . 1_655 ?
O11 Gd1 O6 95.0(2) 2_745 1_655 ?
O12 Gd1 O6 160.0(3) 2_745 1_655 ?
O1 Gd1 O6 91.6(2) . 1_655 ?
O4 Gd1 O6 62.1(2) 1_655 1_655 ?
O14 Gd1 P3 120.7(2) . 1_655 ?
O11 Gd1 P3 88.6(2) 2_745 1_655 ?
O12 Gd1 P3 129.1(2) 2_745 1_655 ?
O1 Gd1 P3 97.4(2) . 1_655 ?
O4 Gd1 P3 31.38(16) 1_655 1_655 ?
O6 Gd1 P3 30.98(15) 1_655 1_655 ?
O14 Gd1 Cs2 140.6(2) . 1_645 ?
O11 Gd1 Cs2 57.0(2) 2_745 1_645 ?
O12 Gd1 Cs2 60.7(2) 2_745 1_645 ?
O1 Gd1 Cs2 122.19(18) . 1_645 ?
O4 Gd1 Cs2 47.77(15) 1_655 1_645 ?
O6 Gd1 Cs2 102.13(14) 1_655 1_645 ?
P3 Gd1 Cs2 73.28(5) 1_655 1_645 ?
O14 Gd1 Cs5 58.6(2) . 2_745 ?
O11 Gd1 Cs5 54.97(19) 2_745 2_745 ?
O12 Gd1 Cs5 58.2(2) 2_745 2_745 ?
O1 Gd1 Cs5 119.14(19) . 2_745 ?
O4 Gd1 Cs5 134.56(14) 1_655 2_745 ?
O6 Gd1 Cs5 136.10(15) 1_655 2_745 ?
P3 Gd1 Cs5 143.37(5) 1_655 2_745 ?
Cs2 Gd1 Cs5 87.778(16) 1_645 2_745 ?
O14 Gd1 Cs6 144.81(19) . 2_746 ?
O11 Gd1 Cs6 128.8(2) 2_745 2_746 ?
O12 Gd1 Cs6 86.3(2) 2_745 2_746 ?
O1 Gd1 Cs6 53.40(18) . 2_746 ?
O4 Gd1 Cs6 44.58(15) 1_655 2_746 ?
O6 Gd1 Cs6 78.57(15) 1_655 2_746 ?
P3 Gd1 Cs6 60.26(5) 1_655 2_746 ?
Cs2 Gd1 Cs6 74.622(16) 1_645 2_746 ?
Cs5 Gd1 Cs6 144.477(19) 2_745 2_746 ?
O14 Gd1 Cs1 61.6(2) . 2_745 ?
O11 Gd1 Cs1 109.98(19) 2_745 2_745 ?
O12 Gd1 Cs1 57.3(2) 2_745 2_745 ?
O1 Gd1 Cs1 64.07(19) . 2_745 ?
O4 Gd1 Cs1 146.22(16) 1_655 2_745 ?
O6 Gd1 Cs1 139.85(14) 1_655 2_745 ?
P3 Gd1 Cs1 161.33(5) 1_655 2_745 ?
Cs2 Gd1 Cs1 117.725(17) 1_645 2_745 ?
Cs5 Gd1 Cs1 55.071(13) 2_745 2_745 ?
Cs6 Gd1 Cs1 106.367(16) 2_746 2_745 ?
O10 Gd2 O9 105.7(3) 2_645 . ?
O10 Gd2 O7 95.4(2) 2_645 . ?
O9 Gd2 O7 86.1(3) . . ?
O10 Gd2 O13 84.1(2) 2_645 . ?
O9 Gd2 O13 86.0(2) . . ?
O7 Gd2 O13 171.6(3) . . ?
O10 Gd2 O2 95.2(3) 2_645 . ?
O9 Gd2 O2 158.5(3) . . ?
O7 Gd2 O2 96.9(3) . . ?
O13 Gd2 O2 91.5(2) . . ?
O10 Gd2 O16 156.5(3) 2_645 . ?
O9 Gd2 O16 97.0(3) . . ?
O7 Gd2 O16 92.1(2) . . ?
O13 Gd2 O16 91.6(2) . . ?
O2 Gd2 O16 61.7(2) . . ?
O10 Gd2 Cs1 54.12(19) 2_645 2_745 ?
O9 Gd2 Cs1 139.74(17) . 2_745 ?
O7 Gd2 Cs1 126.3(2) . 2_745 ?
O13 Gd2 Cs1 59.77(18) . 2_745 ?
O2 Gd2 Cs1 52.19(16) . 2_745 ?
O16 Gd2 Cs1 103.96(16) . 2_745 ?
O10 Gd2 Cs5 137.31(18) 2_645 . ?
O9 Gd2 Cs5 65.52(18) . . ?
O7 Gd2 Cs5 123.93(19) . . ?
O13 Gd2 Cs5 54.52(18) . . ?
O2 Gd2 Cs5 95.75(16) . . ?
O16 Gd2 Cs5 49.02(16) . . ?
Cs1 Gd2 Cs5 104.077(17) 2_745 . ?
O10 Gd2 Cs2 53.08(19) 2_645 2_645 ?
O9 Gd2 Cs2 63.10(18) . 2_645 ?
O7 Gd2 Cs2 120.36(19) . 2_645 ?
O13 Gd2 Cs2 52.99(18) . 2_645 ?
O2 Gd2 Cs2 130.39(16) . 2_645 ?
O16 Gd2 Cs2 138.22(15) . 2_645 ?
Cs1 Gd2 Cs2 78.649(18) 2_745 2_645 ?
Cs5 Gd2 Cs2 89.495(17) . 2_645 ?
O10 Gd2 Cs1 64.97(19) 2_645 1_455 ?
O9 Gd2 Cs1 52.05(18) . 1_455 ?
O7 Gd2 Cs1 60.78(19) . 1_455 ?
O13 Gd2 Cs1 111.77(18) . 1_455 ?
O2 Gd2 Cs1 146.40(16) . 1_455 ?
O16 Gd2 Cs1 137.08(15) . 1_455 ?
Cs1 Gd2 Cs1 118.836(15) 2_745 1_455 ?
Cs5 Gd2 Cs1 117.350(19) . 1_455 ?
Cs2 Gd2 Cs1 60.005(15) 2_645 1_455 ?
O10 Gd2 Cs2 58.26(19) 2_645 1_545 ?
O9 Gd2 Cs2 146.88(17) . 1_545 ?
O7 Gd2 Cs2 68.5(2) . 1_545 ?
O13 Gd2 Cs2 117.63(18) . 1_545 ?
O2 Gd2 Cs2 50.95(16) . 1_545 ?
O16 Gd2 Cs2 104.60(16) . 1_545 ?
Cs1 Gd2 Cs2 57.896(14) 2_745 1_545 ?
Cs5 Gd2 Cs2 146.691(18) . 1_545 ?
Cs2 Gd2 Cs2 111.180(15) 2_645 1_545 ?
Cs1 Gd2 Cs2 95.827(16) 1_455 1_545 ?
O3 P1 O1 108.2(4) . . ?
O3 P1 O16 113.1(4) . . ?
O1 P1 O16 111.9(4) . . ?
O3 P1 O2 111.8(4) . . ?
O1 P1 O2 108.7(4) . . ?
O16 P1 O2 103.0(4) . . ?
O3 P1 Cs3 53.8(3) . 2_756 ?
O1 P1 Cs3 107.5(3) . 2_756 ?
O16 P1 Cs3 64.1(3) . 2_756 ?
O2 P1 Cs3 143.8(3) . 2_756 ?
O3 P1 Cs6 54.0(2) . 2_746 ?
O1 P1 Cs6 55.4(3) . 2_746 ?
O16 P1 Cs6 121.0(3) . 2_746 ?
O2 P1 Cs6 135.9(3) . 2_746 ?
Cs3 P1 Cs6 67.34(5) 2_756 2_746 ?
O11 P2 O8 111.8(4) . . ?
O11 P2 O10 109.0(4) . . ?
O8 P2 O10 110.5(4) . . ?
O11 P2 O9 107.8(4) . . ?
O8 P2 O9 109.9(4) . . ?
O10 P2 O9 107.7(4) . . ?
O11 P2 Cs1 71.6(3) . 2_755 ?
O8 P2 Cs1 65.9(3) . 2_755 ?
O10 P2 Cs1 77.5(3) . 2_755 ?
O9 P2 Cs1 174.5(3) . 2_755 ?
O11 P2 Cs2 60.7(3) . 2_645 ?
O8 P2 Cs2 170.6(3) . 2_645 ?
O10 P2 Cs2 78.1(3) . 2_645 ?
O9 P2 Cs2 69.5(3) . 2_645 ?
Cs1 P2 Cs2 114.00(6) 2_755 2_645 ?
O11 P2 Cs1 124.2(3) . 1_455 ?
O8 P2 Cs1 124.0(3) . 1_455 ?
O10 P2 Cs1 50.9(3) . 1_455 ?
O9 P2 Cs1 56.8(3) . 1_455 ?
Cs1 P2 Cs1 128.21(7) 2_755 1_455 ?
Cs2 P2 Cs1 64.01(4) 2_645 1_455 ?
O11 P2 Cs3 88.3(3) . 1_565 ?
O8 P2 Cs3 24.0(3) . 1_565 ?
O10 P2 Cs3 125.9(3) . 1_565 ?
O9 P2 Cs3 115.0(3) . 1_565 ?
Cs1 P2 Cs3 59.63(4) 2_755 1_565 ?
Cs2 P2 Cs3 147.14(6) 2_645 1_565 ?
Cs1 P2 Cs3 147.47(7) 1_455 1_565 ?
O5 P3 O7 110.6(4) . . ?
O5 P3 O6 113.4(4) . . ?
O7 P3 O6 109.9(4) . . ?
O5 P3 O4 110.6(4) . . ?
O7 P3 O4 108.3(4) . . ?
O6 P3 O4 103.7(4) . . ?
O5 P3 Gd1 133.1(3) . 1_455 ?
O7 P3 Gd1 116.1(3) . 1_455 ?
O6 P3 Gd1 53.0(3) . 1_455 ?
O4 P3 Gd1 51.1(3) . 1_455 ?
O5 P3 Cs4 57.0(3) . 2_656 ?
O7 P3 Cs4 100.9(3) . 2_656 ?
O6 P3 Cs4 65.2(3) . 2_656 ?
O4 P3 Cs4 150.8(3) . 2_656 ?
Gd1 P3 Cs4 115.09(8) 1_455 2_656 ?
O5 P3 Cs6 64.7(3) . 2_646 ?
O7 P3 Cs6 144.0(3) . 2_646 ?
O6 P3 Cs6 104.0(3) . 2_646 ?
O4 P3 Cs6 50.3(2) . 2_646 ?
Gd1 P3 Cs6 75.40(6) 1_455 2_646 ?
Cs4 P3 Cs6 104.23(6) 2_656 2_646 ?
O5 P3 Cs1 131.7(3) . 1_455 ?
O7 P3 Cs1 69.2(3) . 1_455 ?
O6 P3 Cs1 40.7(2) . 1_455 ?
O4 P3 Cs1 115.1(3) . 1_455 ?
Gd1 P3 Cs1 71.47(6) 1_455 1_455 ?
Cs4 P3 Cs1 75.22(5) 2_656 1_455 ?
Cs6 P3 Cs1 142.48(8) 2_646 1_455 ?
O15 P4 O14 111.0(5) . . ?
O15 P4 O12 109.8(5) . . ?
O14 P4 O12 106.4(5) . . ?
O15 P4 O13 110.9(4) . . ?
O14 P4 O13 107.6(4) . . ?
O12 P4 O13 110.9(4) . . ?
O15 P4 Cs2 73.3(3) . 2_645 ?
O14 P4 Cs2 172.7(3) . 2_645 ?
O12 P4 Cs2 76.8(3) . 2_645 ?
O13 P4 Cs2 65.1(3) . 2_645 ?
O15 P4 Cs3 69.9(3) . 2_755 ?
O14 P4 Cs3 81.3(3) . 2_755 ?
O12 P4 Cs3 60.0(3) . 2_755 ?
O13 P4 Cs3 169.4(3) . 2_755 ?
Cs2 P4 Cs3 105.90(7) 2_645 2_755 ?
O15 P4 Cs1 60.8(3) . 2_745 ?
O14 P4 Cs1 90.3(3) . 2_745 ?
O12 P4 Cs1 163.2(3) . 2_745 ?
O13 P4 Cs1 64.2(3) . 2_745 ?
Cs2 P4 Cs1 86.89(6) 2_645 2_745 ?
Cs3 P4 Cs1 122.65(7) 2_755 2_745 ?
O15 P4 Cs5 48.1(3) . 2_745 ?
O14 P4 Cs5 62.9(3) . 2_745 ?
O12 P4 Cs5 121.9(3) . 2_745 ?
O13 P4 Cs5 126.9(3) . 2_745 ?
Cs2 P4 Cs5 121.33(7) 2_645 2_745 ?
Cs3 P4 Cs5 61.98(4) 2_755 2_745 ?
Cs1 P4 Cs5 63.81(4) 2_745 2_745 ?
P1 O1 Gd1 164.0(5) . . ?
P1 O1 Cs3 83.5(3) . . ?
Gd1 O1 Cs3 103.7(2) . . ?
P1 O1 Cs6 102.3(3) . 2_746 ?
Gd1 O1 Cs6 93.3(2) . 2_746 ?
Cs3 O1 Cs6 75.41(15) . 2_746 ?
P1 O1 Cs5 86.8(3) . . ?
Gd1 O1 Cs5 83.13(19) . . ?
Cs3 O1 Cs5 165.2(2) . . ?
Cs6 O1 Cs5 117.8(2) 2_746 . ?
P1 O2 Gd2 96.9(3) . . ?
P1 O2 Cs1 130.3(3) . 2_745 ?
Gd2 O2 Cs1 90.8(2) . 2_745 ?
P1 O2 Cs3 82.4(3) . . ?
Gd2 O2 Cs3 165.8(3) . . ?
Cs1 O2 Cs3 79.10(16) 2_745 . ?
P1 O2 Cs4 83.3(3) . . ?
Gd2 O2 Cs4 97.4(2) . . ?
Cs1 O2 Cs4 144.3(2) 2_745 . ?
Cs3 O2 Cs4 96.63(17) . . ?
P1 O2 Cs2 149.1(3) . 1_545 ?
Gd2 O2 Cs2 98.01(19) . 1_545 ?
Cs1 O2 Cs2 76.33(15) 2_745 1_545 ?
Cs3 O2 Cs2 89.37(17) . 1_545 ?
Cs4 O2 Cs2 68.15(12) . 1_545 ?
P1 O3 Cs3 102.4(3) . 2_756 ?
P1 O3 Cs4 101.2(3) . . ?
Cs3 O3 Cs4 93.46(18) 2_756 . ?
P1 O3 Cs5 176.2(3) . 2_746 ?
Cs3 O3 Cs5 77.35(15) 2_756 2_746 ?
Cs4 O3 Cs5 75.04(13) . 2_746 ?
P1 O3 Cs3 82.4(3) . . ?
Cs3 O3 Cs3 159.1(2) 2_756 . ?
Cs4 O3 Cs3 105.7(2) . . ?
Cs5 O3 Cs3 99.22(19) 2_746 . ?
P1 O3 Cs6 104.2(3) . 2_746 ?
Cs3 O3 Cs6 83.81(16) 2_756 2_746 ?
Cs4 O3 Cs6 154.4(2) . 2_746 ?
Cs5 O3 Cs6 79.59(14) 2_746 2_746 ?
Cs3 O3 Cs6 75.30(14) . 2_746 ?
P3 O4 Gd1 97.5(3) . 1_455 ?
P3 O4 Cs6 105.7(3) . 2_646 ?
Gd1 O4 Cs6 101.7(2) 1_455 2_646 ?
P3 O4 Cs2 135.5(3) . 1_545 ?
Gd1 O4 Cs2 97.3(2) 1_455 1_545 ?
Cs6 O4 Cs2 111.9(2) 2_646 1_545 ?
P3 O4 Cs4 83.9(3) . . ?
Gd1 O4 Cs4 174.4(2) 1_455 . ?
Cs6 O4 Cs4 83.07(16) 2_646 . ?
Cs2 O4 Cs4 78.13(14) 1_545 . ?
P3 O5 Cs2 176.5(4) . 2_646 ?
P3 O5 Cs4 98.9(3) . 2_656 ?
Cs2 O5 Cs4 80.80(17) 2_646 2_656 ?
P3 O5 Cs4 85.4(3) . . ?
Cs2 O5 Cs4 93.26(19) 2_646 . ?
Cs4 O5 Cs4 153.2(2) 2_656 . ?
P3 O5 Cs6 91.3(3) . 2_646 ?
Cs2 O5 Cs6 91.53(17) 2_646 2_646 ?
Cs4 O5 Cs6 128.4(2) 2_656 2_646 ?
Cs4 O5 Cs6 77.53(16) . 2_646 ?
P3 O6 Gd1 96.0(3) . 1_455 ?
P3 O6 Cs1 119.2(3) . 1_455 ?
Gd1 O6 Cs1 100.3(2) 1_455 1_455 ?
P3 O6 Cs5 152.9(4) . 1_455 ?
Gd1 O6 Cs5 94.69(19) 1_455 1_455 ?
Cs1 O6 Cs5 83.09(16) 1_455 1_455 ?
P3 O6 Cs4 89.7(3) . 2_656 ?
Gd1 O6 Cs4 157.9(2) 1_455 2_656 ?
Cs1 O6 Cs4 95.40(18) 1_455 2_656 ?
Cs5 O6 Cs4 71.80(13) 1_455 2_656 ?
P3 O7 Gd2 159.0(5) . . ?
P3 O7 Cs4 78.9(3) . . ?
Gd2 O7 Cs4 102.8(2) . . ?
P3 O7 Cs6 116.0(4) . . ?
Gd2 O7 Cs6 84.9(2) . . ?
Cs4 O7 Cs6 94.31(18) . . ?
P3 O7 Cs1 87.7(3) . 1_455 ?
Gd2 O7 Cs1 86.9(2) . 1_455 ?
Cs4 O7 Cs1 164.5(2) . 1_455 ?
Cs6 O7 Cs1 98.61(19) . 1_455 ?
P2 O8 Cs3 143.7(4) . 1_565 ?
P2 O8 Cs6 105.0(4) . . ?
Cs3 O8 Cs6 90.8(2) 1_565 . ?
P2 O8 Cs2 104.4(4) . . ?
Cs3 O8 Cs2 105.9(2) 1_565 . ?
Cs6 O8 Cs2 96.60(19) . . ?
P2 O8 Cs1 91.0(3) . 2_755 ?
Cs3 O8 Cs1 77.07(16) 1_565 2_755 ?
Cs6 O8 Cs1 163.9(2) . 2_755 ?
Cs2 O8 Cs1 77.11(16) . 2_755 ?
P2 O8 Cs5 80.7(3) . . ?
Cs3 O8 Cs5 71.46(15) 1_565 . ?
Cs6 O8 Cs5 76.25(16) . . ?
Cs2 O8 Cs5 172.2(2) . . ?
Cs1 O8 Cs5 108.95(18) 2_755 . ?
P2 O9 Gd2 157.8(4) . . ?
P2 O9 Cs6 97.1(3) . . ?
Gd2 O9 Cs6 90.8(2) . . ?
P2 O9 Cs1 100.3(3) . 1_455 ?
Gd2 O9 Cs1 96.1(2) . 1_455 ?
Cs6 O9 Cs1 111.03(17) . 1_455 ?
P2 O9 Cs2 86.9(3) . 2_645 ?
Gd2 O9 Cs2 83.8(2) . 2_645 ?
Cs6 O9 Cs2 173.9(2) . 2_645 ?
Cs1 O9 Cs2 72.54(15) 1_455 2_645 ?
P2 O9 Cs5 81.5(3) . . ?
Gd2 O9 Cs5 80.7(2) . . ?
Cs6 O9 Cs5 74.75(15) . . ?
Cs1 O9 Cs5 173.5(2) 1_455 . ?
Cs2 O9 Cs5 101.44(15) 2_645 . ?
P2 O10 Gd2 155.4(4) . 2_655 ?
P2 O10 Cs1 107.2(3) . 1_455 ?
Gd2 O10 Cs1 91.4(2) 2_655 1_455 ?
P2 O10 Cs2 97.1(3) . . ?
Gd2 O10 Cs2 93.8(2) 2_655 . ?
Cs1 O10 Cs2 103.73(19) 1_455 . ?
P2 O11 Gd1 169.7(5) . 2_755 ?
P2 O11 Cs5 93.5(3) . . ?
Gd1 O11 Cs5 91.6(2) 2_755 . ?
P2 O11 Cs2 96.7(3) . 2_645 ?
Gd1 O11 Cs2 89.5(2) 2_755 2_645 ?
Cs5 O11 Cs2 113.5(2) . 2_645 ?
P2 O11 Cs1 85.5(3) . 2_755 ?
Gd1 O11 Cs1 84.2(2) 2_755 2_755 ?
Cs5 O11 Cs1 113.3(2) . 2_755 ?
Cs2 O11 Cs1 132.9(2) 2_645 2_755 ?
P4 O12 Gd1 158.0(4) . 2_755 ?
P4 O12 Cs3 95.6(3) . 2_755 ?
Gd1 O12 Cs3 105.4(2) 2_755 2_755 ?
P4 O12 Cs5 81.8(3) . . ?
Gd1 O12 Cs5 88.3(2) 2_755 . ?
Cs3 O12 Cs5 133.6(3) 2_755 . ?
P4 O12 Cs2 78.6(3) . 2_645 ?
Gd1 O12 Cs2 85.7(2) 2_755 2_645 ?
Cs3 O12 Cs2 117.9(2) 2_755 2_645 ?
Cs5 O12 Cs2 106.98(17) . 2_645 ?
P4 O13 Gd2 176.3(5) . . ?
P4 O13 Cs5 90.6(3) . . ?
Gd2 O13 Cs5 90.5(2) . . ?
P4 O13 Cs2 89.4(3) . 2_645 ?
Gd2 O13 Cs2 93.1(2) . 2_645 ?
Cs5 O13 Cs2 121.5(2) . 2_645 ?
P4 O13 Cs1 91.8(3) . 2_745 ?
Gd2 O13 Cs1 85.1(2) . 2_745 ?
Cs5 O13 Cs1 139.4(2) . 2_745 ?
Cs2 O13 Cs1 99.08(18) 2_645 2_745 ?
P4 O14 Gd1 153.4(5) . . ?
P4 O14 Cs5 83.9(3) . . ?
Gd1 O14 Cs5 92.0(3) . . ?
P4 O14 Cs5 94.2(4) . 2_745 ?
Gd1 O14 Cs5 88.2(2) . 2_745 ?
Cs5 O14 Cs5 176.2(3) . 2_745 ?
P4 O14 Cs1 115.9(4) . . ?
Gd1 O14 Cs1 87.2(2) . . ?
Cs5 O14 Cs1 71.19(16) . . ?
Cs5 O14 Cs1 112.6(2) 2_745 . ?
P4 O14 Cs3 75.1(3) . 2_755 ?
Gd1 O14 Cs3 129.0(3) . 2_755 ?
Cs5 O14 Cs3 117.3(2) . 2_755 ?
Cs5 O14 Cs3 65.16(13) 2_745 2_755 ?
Cs1 O14 Cs3 67.09(13) . 2_755 ?
P4 O15 Cs4 166.4(5) . 1_554 ?
P4 O15 Cs5 110.7(4) . 2_745 ?
Cs4 O15 Cs5 78.57(18) 1_554 2_745 ?
P4 O15 Cs1 95.8(4) . 2_745 ?
Cs4 O15 Cs1 95.8(2) 1_554 2_745 ?
Cs5 O15 Cs1 78.4(2) 2_745 2_745 ?
P4 O15 Cs3 85.9(3) . 2_755 ?
Cs4 O15 Cs3 87.57(19) 1_554 2_755 ?
Cs5 O15 Cs3 72.83(15) 2_745 2_755 ?
Cs1 O15 Cs3 149.7(3) 2_745 2_755 ?
P4 O15 Cs2 82.0(3) . 2_645 ?
Cs4 O15 Cs2 89.8(2) 1_554 2_645 ?
Cs5 O15 Cs2 166.7(3) 2_745 2_645 ?
Cs1 O15 Cs2 96.60(18) 2_745 2_645 ?
Cs3 O15 Cs2 113.5(2) 2_755 2_645 ?
P1 O16 Gd2 96.3(3) . . ?
P1 O16 Cs5 118.2(3) . . ?
Gd2 O16 Cs5 93.7(2) . . ?
P1 O16 Cs6 156.0(4) . . ?
Gd2 O16 Cs6 88.02(19) . . ?
Cs5 O16 Cs6 84.83(18) . . ?
P1 O16 Cs3 90.9(3) . 2_756 ?
Gd2 O16 Cs3 155.6(2) . 2_756 ?
Cs5 O16 Cs3 103.33(19) . 2_756 ?
Cs6 O16 Cs3 76.46(14) . 2_756 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.755
_refine_diff_density_min         -1.466
_refine_diff_density_rms         0.281
_chemical_properties_physical    Moisture-sensitive
