# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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. 
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data_mo_gzx20230912002_0m
_database_code_depnum_ccdc_archive 'CCDC 2392368'
loop_
_audit_author_name
_audit_author_address
'Zhixia Gao'
;Xinjiang Normal University
China
;
_audit_update_record             
;
2024-10-19 deposited with the CCDC.	2025-02-17 downloaded from the CCDC.
;
_audit_creation_date             2023-09-19
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'K4 Mo5 O22 P2'
_chemical_formula_sum            'K4 Mo5 O22 P2'
_chemical_formula_weight         1050.04
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   6.4412(5)
_cell_length_b                   19.2341(15)
_cell_length_c                   17.0120(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2107.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5708
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.935
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5133
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1428 before and 0.0742 after correction.
The Ratio of minimum to maximum transmission is 0.6884.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.309
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_unetI/netI     0.0447
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9893
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.505
_diffrn_reflns_theta_min         2.118
_diffrn_ambient_temperature      296.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.731
_reflns_Friedel_fraction_full    0.984
_reflns_Friedel_fraction_max     0.985
_reflns_number_gt                2334
_reflns_number_total             2425
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.726
_refine_diff_density_min         -0.694
_refine_diff_density_rms         0.139
_refine_ls_abs_structure_details 
;
 Flack x determined using 952 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.08(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_reflns         2425
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0271
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0163P)²+7.3562P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0626
_refine_ls_wR_factor_ref         0.0638
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Mo01 Mo 0.500000 0.74472(4) 0.750000 0.01599(16) Uani 1 2 d S T P . .
Mo02 Mo 0.50206(11) 0.47588(3) 0.64096(3) 0.01864(14) Uani 1 1 d . . . . .
Mo03 Mo 0.57531(10) 0.64408(3) 0.59000(3) 0.02037(15) Uani 1 1 d . . . . .
K004 K 1.000000 0.42277(11) 0.750000 0.0311(5) Uani 1 2 d S T P . .
P005 P 0.7812(3) 0.59469(8) 0.76800(10) 0.0155(4) Uani 1 1 d . . . . .
K006 K 0.5406(3) 0.73998(12) 0.39719(11) 0.0423(5) Uani 1 1 d . . . . .
K007 K 0.0475(4) 0.500000 0.500000 0.0471(8) Uani 1 2 d S T P . .
O008 O 0.500000 0.4543(3) 0.750000 0.0208(13) Uani 1 2 d S T P . .
O009 O 0.6844(8) 0.5766(2) 0.6887(3) 0.0190(10) Uani 1 1 d . . . . .
O00A O 1.000000 0.6294(3) 0.750000 0.0258(15) Uani 1 2 d S T P . .
O00B O 0.4691(8) 0.5529(2) 0.5709(3) 0.0242(12) Uani 1 1 d . . . . .
O00C O 0.4062(10) 0.6917(3) 0.5350(3) 0.0322(13) Uani 1 1 d . . . . .
O00D O 0.6669(8) 0.7157(3) 0.6631(3) 0.0200(10) Uani 1 1 d . . . . .
O00E O 0.6689(8) 0.6538(2) 0.8098(3) 0.0169(9) Uani 1 1 d . . . . .
O00F O 0.8078(8) 0.5316(2) 0.8176(3) 0.0194(10) Uani 1 1 d . . . . .
O00G O 0.7410(9) 0.4460(3) 0.6145(3) 0.0298(12) Uani 1 1 d . . . . .
O00H O 0.6753(9) 0.7996(3) 0.7924(3) 0.0268(12) Uani 1 1 d . . . . .
O00I O 0.3364(9) 0.4151(3) 0.6047(3) 0.0290(12) Uani 1 1 d . . . . .
O00J O 0.7998(10) 0.6424(3) 0.5374(4) 0.0388(14) 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
Mo01 K004 3.425(2) 5_455 ?
Mo01 K006 3.8875(18) 6_665 ?
Mo01 K006 3.8875(18) 8_466 ?
Mo01 O00D 1.911(5) . ?
Mo01 O00D 1.911(5) 3_656 ?
Mo01 O00E 2.297(5) . ?
Mo01 O00E 2.297(5) 3_656 ?
Mo01 O00H 1.706(5) 3_656 ?
Mo01 O00H 1.706(5) . ?
Mo02 K004 3.8433(9) . ?
Mo02 K004 3.8656(9) 1_455 ?
Mo02 K007 3.813(2) . ?
Mo02 O008 1.9010(15) . ?
Mo02 O009 2.406(5) . ?
Mo02 O00B 1.912(5) . ?
Mo02 O00F 2.373(5) 3_656 ?
Mo02 O00G 1.703(6) . ?
Mo02 O00I 1.699(5) . ?
Mo03 K006 3.742(2) 8_566 ?
Mo03 K006 3.770(2) . ?
Mo03 K006 4.109(2) 8_466 ?
Mo03 O009 2.236(5) . ?
Mo03 O00B 1.911(5) . ?
Mo03 O00C 1.703(6) . ?
Mo03 O00D 1.948(5) . ?
Mo03 O00E 2.328(5) 3_656 ?
Mo03 O00J 1.700(6) . ?
K004 P005 3.608(2) 3_756 ?
K004 O008 3.2771(12) 1_655 ?
K004 O008 3.2771(12) . ?
K004 O00F 2.691(5) 3_756 ?
K004 O00F 2.691(5) . ?
K004 O00G 2.881(6) 3_756 ?
K004 O00G 2.881(6) . ?
K004 O00H 2.722(5) 5_545 ?
K004 O00H 2.722(5) 7_646 ?
K004 O00I 3.291(6) 3_656 ?
K004 O00I 3.291(6) 1_655 ?
P005 O009 1.526(5) . ?
P005 O00A 1.589(3) . ?
P005 O00E 1.523(5) . ?
P005 O00F 1.488(5) . ?
K006 K006 4.771(3) 8_466 ?
K006 O00C 2.933(7) 8_566 ?
K006 O00C 2.667(6) . ?
K006 O00D 2.752(5) 8_466 ?
K006 O00E 3.144(5) 6_664 ?
K006 O00H 2.665(6) 6_664 ?
K006 O00I 3.259(6) 4_566 ?
K006 O00J 2.960(6) 8_466 ?
K007 O00B 3.141(5) 4_566 ?
K007 O00B 3.141(5) . ?
K007 O00F 3.296(5) 2_664 ?
K007 O00F 3.296(5) 3_656 ?
K007 O00G 2.961(6) 4_466 ?
K007 O00G 2.961(6) 1_455 ?
K007 O00I 3.050(6) 4_566 ?
K007 O00I 3.050(6) . ?
K007 O00J 3.233(7) 4_466 ?
K007 O00J 3.233(7) 1_455 ?

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
K004 Mo01 K006 85.66(4) 5_455 8_466 ?
K004 Mo01 K006 85.66(4) 5_455 6_665 ?
K006 Mo01 K006 171.32(7) 6_665 8_466 ?
O00D Mo01 K004 107.00(15) . 5_455 ?
O00D Mo01 K004 106.99(15) 3_656 5_455 ?
O00D Mo01 K006 87.26(16) . 8_466 ?
O00D Mo01 K006 87.26(16) 3_656 6_665 ?
O00D Mo01 K006 95.28(16) . 6_665 ?
O00D Mo01 K006 95.28(16) 3_656 8_466 ?
O00D Mo01 O00D 146.0(3) 3_656 . ?
O00D Mo01 O00E 72.65(19) 3_656 . ?
O00D Mo01 O00E 72.6(2) . 3_656 ?
O00D Mo01 O00E 81.56(19) . . ?
O00D Mo01 O00E 81.56(19) 3_656 3_656 ?
O00E Mo01 K004 139.57(12) 3_656 5_455 ?
O00E Mo01 K004 139.58(12) . 5_455 ?
O00E Mo01 K006 53.97(12) 3_656 8_466 ?
O00E Mo01 K006 53.97(12) . 6_665 ?
O00E Mo01 K006 134.70(13) . 8_466 ?
O00E Mo01 K006 134.70(13) 3_656 6_665 ?
O00E Mo01 O00E 80.8(2) 3_656 . ?
O00H Mo01 K004 51.78(17) 3_656 5_455 ?
O00H Mo01 K004 51.78(17) . 5_455 ?
O00H Mo01 K006 34.59(17) . 6_665 ?
O00H Mo01 K006 34.59(18) 3_656 8_466 ?
O00H Mo01 K006 136.85(18) 3_656 6_665 ?
O00H Mo01 K006 136.86(18) . 8_466 ?
O00H Mo01 O00D 97.8(2) . . ?
O00H Mo01 O00D 97.8(2) 3_656 3_656 ?
O00H Mo01 O00D 103.1(2) . 3_656 ?
O00H Mo01 O00D 103.1(2) 3_656 . ?
O00H Mo01 O00E 88.3(2) . . ?
O00H Mo01 O00E 166.4(2) 3_656 . ?
O00H Mo01 O00E 166.4(2) . 3_656 ?
O00H Mo01 O00E 88.3(2) 3_656 3_656 ?
O00H Mo01 O00H 103.6(3) . 3_656 ?
K004 Mo02 K004 113.35(3) . 1_455 ?
K007 Mo02 K004 167.61(3) . . ?
K007 Mo02 K004 72.03(3) . 1_455 ?
O008 Mo02 K004 58.45(4) . . ?
O008 Mo02 K004 57.87(4) . 1_455 ?
O008 Mo02 K007 129.41(4) . . ?
O008 Mo02 O009 81.4(2) . . ?
O008 Mo02 O00B 140.9(2) . . ?
O008 Mo02 O00F 78.65(15) . 3_656 ?
O009 Mo02 K004 117.31(12) . 1_455 ?
O009 Mo02 K004 69.13(12) . . ?
O009 Mo02 K007 119.28(12) . . ?
O00B Mo02 K004 114.25(16) . 1_455 ?
O00B Mo02 K004 126.80(16) . . ?
O00B Mo02 K007 55.17(15) . . ?
O00B Mo02 O009 68.98(19) . . ?
O00B Mo02 O00F 75.0(2) . 3_656 ?
O00F Mo02 K004 43.39(12) 3_656 1_455 ?
O00F Mo02 K004 132.75(12) 3_656 . ?
O00F Mo02 K007 59.05(12) 3_656 . ?
O00F Mo02 O009 86.93(17) 3_656 . ?
O00G Mo02 K004 142.5(2) . 1_455 ?
O00G Mo02 K004 44.3(2) . . ?
O00G Mo02 K007 124.7(2) . . ?
O00G Mo02 O008 101.0(2) . . ?
O00G Mo02 O009 85.4(2) . . ?
O00G Mo02 O00B 101.3(3) . . ?
O00G Mo02 O00F 172.3(2) . 3_656 ?
O00I Mo02 K004 57.81(19) . 1_455 ?
O00I Mo02 K004 121.1(2) . . ?
O00I Mo02 K007 51.19(19) . . ?
O00I Mo02 O008 101.5(2) . . ?
O00I Mo02 O009 169.5(2) . . ?
O00I Mo02 O00B 103.7(2) . . ?
O00I Mo02 O00F 83.7(2) . 3_656 ?
O00I Mo02 O00G 103.8(3) . . ?
K006 Mo03 K006 74.39(4) . 8_466 ?
K006 Mo03 K006 110.17(6) 8_566 8_466 ?
K006 Mo03 K006 78.85(4) 8_566 . ?
O009 Mo03 K006 163.00(14) . . ?
O009 Mo03 K006 92.90(13) . 8_566 ?
O009 Mo03 K006 122.58(13) . 8_466 ?
O009 Mo03 O00E 73.07(18) . 3_656 ?
O00B Mo03 K006 106.29(14) . . ?
O00B Mo03 K006 101.97(17) . 8_466 ?
O00B Mo03 K006 147.54(17) . 8_566 ?
O00B Mo03 O009 72.95(19) . . ?
O00B Mo03 O00D 150.0(2) . . ?
O00B Mo03 O00E 87.5(2) . 3_656 ?
O00C Mo03 K006 103.0(2) . 8_566 ?
O00C Mo03 K006 38.8(2) . . ?
O00C Mo03 K006 37.0(2) . 8_466 ?
O00C Mo03 O009 157.8(2) . . ?
O00C Mo03 O00B 99.9(2) . . ?
O00C Mo03 O00D 99.5(2) . . ?
O00C Mo03 O00E 85.8(2) . 3_656 ?
O00D Mo03 K006 103.17(15) . . ?
O00D Mo03 K006 80.57(15) . 8_466 ?
O00D Mo03 K006 45.47(15) . 8_566 ?
O00D Mo03 O009 80.53(19) . . ?
O00D Mo03 O00E 71.31(19) . 3_656 ?
O00E Mo03 K006 49.52(12) 3_656 8_466 ?
O00E Mo03 K006 123.91(12) 3_656 . ?
O00E Mo03 K006 116.78(12) 3_656 8_566 ?
O00J Mo03 K006 66.6(2) . . ?
O00J Mo03 K006 138.7(2) . 8_466 ?
O00J Mo03 K006 50.3(2) . 8_566 ?
O00J Mo03 O009 96.7(3) . . ?
O00J Mo03 O00B 101.4(3) . . ?
O00J Mo03 O00C 105.4(3) . . ?
O00J Mo03 O00D 95.3(3) . . ?
O00J Mo03 O00E 164.1(3) . 3_656 ?
Mo01 K004 P005 156.44(3) 5_545 3_756 ?
O008 K004 Mo01 100.66(11) . 5_545 ?
O008 K004 Mo01 100.66(11) 1_655 5_545 ?
O008 K004 P005 102.38(12) . 3_756 ?
O008 K004 P005 56.40(11) 1_655 3_756 ?
O008 K004 O008 158.7(2) 1_655 . ?
O008 K004 O00I 50.30(10) . 3_656 ?
O008 K004 O00I 50.30(10) 1_655 1_655 ?
O008 K004 O00I 130.96(10) . 1_655 ?
O008 K004 O00I 130.96(10) 1_655 3_656 ?
O00F K004 Mo01 141.10(11) . 5_545 ?
O00F K004 Mo01 141.10(11) 3_756 5_545 ?
O00F K004 P005 21.67(10) 3_756 3_756 ?
O00F K004 P005 60.18(12) . 3_756 ?
O00F K004 O008 53.42(14) 3_756 1_655 ?
O00F K004 O008 53.42(14) . . ?
O00F K004 O008 107.95(15) . 1_655 ?
O00F K004 O008 107.95(15) 3_756 . ?
O00F K004 O00F 77.8(2) 3_756 . ?
O00F K004 O00G 78.66(16) 3_756 . ?
O00F K004 O00G 87.42(15) . . ?
O00F K004 O00G 78.66(16) . 3_756 ?
O00F K004 O00G 87.42(15) 3_756 3_756 ?
O00F K004 O00H 126.86(16) 3_756 5_545 ?
O00F K004 O00H 139.01(15) 3_756 7_646 ?
O00F K004 O00H 126.86(17) . 7_646 ?
O00F K004 O00H 139.01(15) . 5_545 ?
O00F K004 O00I 131.24(16) . 1_655 ?
O00F K004 O00I 131.24(15) 3_756 3_656 ?
O00F K004 O00I 53.91(13) . 3_656 ?
O00F K004 O00I 53.91(13) 3_756 1_655 ?
O00G K004 Mo01 98.93(12) 3_756 5_545 ?
O00G K004 Mo01 98.94(12) . 5_545 ?
O00G K004 P005 72.50(11) 3_756 3_756 ?
O00G K004 P005 90.91(13) . 3_756 ?
O00G K004 O008 122.71(13) 3_756 . ?
O00G K004 O008 53.29(11) . . ?
O00G K004 O008 53.29(12) 3_756 1_655 ?
O00G K004 O008 122.71(13) . 1_655 ?
O00G K004 O00G 162.1(2) . 3_756 ?
O00G K004 O00I 77.71(15) . 1_655 ?
O00G K004 O00I 103.12(15) 3_756 1_655 ?
O00G K004 O00I 77.71(15) 3_756 3_656 ?
O00G K004 O00I 103.12(15) . 3_656 ?
O00H K004 Mo01 29.50(11) 5_545 5_545 ?
O00H K004 Mo01 29.50(11) 7_646 5_545 ?
O00H K004 P005 159.61(12) 7_646 3_756 ?
O00H K004 P005 131.17(12) 5_545 3_756 ?
O00H K004 O008 124.66(16) 5_545 . ?
O00H K004 O008 75.71(15) 5_545 1_655 ?
O00H K004 O008 124.66(16) 7_646 1_655 ?
O00H K004 O008 75.71(15) 7_646 . ?
O00H K004 O00G 125.99(17) 5_545 . ?
O00H K004 O00G 71.50(16) 7_646 . ?
O00H K004 O00G 125.99(17) 7_646 3_756 ?
O00H K004 O00G 71.50(16) 5_545 3_756 ?
O00H K004 O00H 59.0(2) 7_646 5_545 ?
O00H K004 O00I 83.50(16) 7_646 3_656 ?
O00H K004 O00I 91.99(16) 5_545 3_656 ?
O00H K004 O00I 91.99(16) 7_646 1_655 ?
O00H K004 O00I 83.50(16) 5_545 1_655 ?
O00I K004 Mo01 87.41(10) 1_655 5_545 ?
O00I K004 Mo01 87.41(10) 3_656 5_545 ?
O00I K004 P005 73.76(10) 1_655 3_756 ?
O00I K004 P005 111.24(11) 3_656 3_756 ?
O00I K004 O00I 174.8(2) 3_656 1_655 ?
O009 P005 K004 82.84(19) . . ?
O009 P005 O00A 106.7(2) . . ?
O00A P005 K004 91.3(2) . . ?
O00E P005 K004 155.4(2) . . ?
O00E P005 O009 112.9(3) . . ?
O00E P005 O00A 101.4(3) . . ?
O00F P005 K004 41.92(19) . . ?
O00F P005 O009 111.3(3) . . ?
O00F P005 O00A 110.5(3) . . ?
O00F P005 O00E 113.5(3) . . ?
Mo01 K006 Mo03 49.84(3) 6_664 8_566 ?
Mo01 K006 K006 168.54(8) 6_664 8_466 ?
Mo03 K006 Mo01 123.52(5) . 6_664 ?
Mo03 K006 Mo01 127.02(6) 8_466 6_664 ?
Mo03 K006 Mo03 106.76(4) 8_466 . ?
Mo03 K006 Mo03 99.77(5) . 8_566 ?
Mo03 K006 Mo03 110.17(6) 8_466 8_566 ?
Mo03 K006 K006 56.05(4) . 8_466 ?
Mo03 K006 K006 50.83(3) 8_466 8_466 ?
Mo03 K006 K006 118.89(7) 8_566 8_466 ?
O00C K006 Mo01 147.12(16) . 6_664 ?
O00C K006 Mo01 66.94(11) 8_566 6_664 ?
O00C K006 Mo03 23.60(14) . . ?
O00C K006 Mo03 114.50(15) . 8_566 ?
O00C K006 Mo03 80.19(11) 8_566 . ?
O00C K006 Mo03 110.66(13) 8_566 8_466 ?
O00C K006 Mo03 20.43(11) 8_566 8_566 ?
O00C K006 Mo03 84.06(15) . 8_466 ?
O00C K006 K006 102.56(13) 8_566 8_466 ?
O00C K006 K006 33.30(14) . 8_466 ?
O00C K006 O00C 94.08(14) . 8_566 ?
O00C K006 O00D 98.74(19) . 8_466 ?
O00C K006 O00E 146.68(17) . 6_664 ?
O00C K006 O00E 54.34(14) 8_566 6_664 ?
O00C K006 O00I 137.55(16) 8_566 4_566 ?
O00C K006 O00I 63.81(16) . 4_566 ?
O00C K006 O00J 76.47(19) . 8_466 ?
O00C K006 O00J 86.00(18) 8_566 8_466 ?
O00D K006 Mo01 113.71(12) 8_466 6_664 ?
O00D K006 Mo03 30.30(10) 8_466 8_466 ?
O00D K006 Mo03 125.79(13) 8_466 8_566 ?
O00D K006 Mo03 121.87(12) 8_466 . ?
O00D K006 K006 70.00(11) 8_466 8_466 ?
O00D K006 O00C 135.22(17) 8_466 8_566 ?
O00D K006 O00E 98.21(15) 8_466 6_664 ?
O00D K006 O00I 85.81(16) 8_466 4_566 ?
O00D K006 O00J 56.29(16) 8_466 8_466 ?
O00E K006 Mo01 36.21(9) 6_664 6_664 ?
O00E K006 Mo03 133.96(11) 6_664 . ?
O00E K006 Mo03 96.72(10) 6_664 8_466 ?
O00E K006 Mo03 34.28(9) 6_664 8_566 ?
O00E K006 K006 134.12(12) 6_664 8_466 ?
O00E K006 O00I 146.09(14) 6_664 4_566 ?
O00H K006 Mo01 21.30(11) 6_664 6_664 ?
O00H K006 Mo03 139.38(13) 6_664 8_466 ?
O00H K006 Mo03 113.66(13) 6_664 . ?
O00H K006 Mo03 67.35(12) 6_664 8_566 ?
O00H K006 K006 167.65(15) 6_664 8_466 ?
O00H K006 O00C 135.34(19) 6_664 . ?
O00H K006 O00C 80.78(17) 6_664 8_566 ?
O00H K006 O00D 116.08(18) 6_664 8_466 ?
O00H K006 O00E 57.36(14) 6_664 6_664 ?
O00H K006 O00I 90.53(16) 6_664 4_566 ?
O00H K006 O00J 146.0(2) 6_664 8_466 ?
O00I K006 Mo01 111.72(11) 4_566 6_664 ?
O00I K006 Mo03 65.46(10) 4_566 . ?
O00I K006 Mo03 102.87(11) 4_566 8_466 ?
O00I K006 Mo03 146.64(11) 4_566 8_566 ?
O00I K006 K006 78.97(11) 4_566 8_466 ?
O00J K006 Mo01 125.66(16) 8_466 6_664 ?
O00J K006 Mo03 90.25(14) 8_466 8_566 ?
O00J K006 Mo03 26.22(12) 8_466 8_466 ?
O00J K006 Mo03 94.48(14) 8_466 . ?
O00J K006 K006 46.29(15) 8_466 8_466 ?
O00J K006 O00E 89.60(17) 8_466 6_664 ?
O00J K006 O00I 119.45(19) 8_466 4_566 ?
Mo02 K007 Mo02 79.67(6) 4_566 . ?
O00B K007 Mo02 29.98(9) 4_566 4_566 ?
O00B K007 Mo02 62.50(10) 4_566 . ?
O00B K007 Mo02 62.50(10) . 4_566 ?
O00B K007 Mo02 29.98(9) . . ?
O00B K007 O00B 60.31(19) 4_566 . ?
O00B K007 O00F 48.25(13) 4_566 2_664 ?
O00B K007 O00F 48.25(13) . 3_656 ?
O00B K007 O00F 100.19(14) 4_566 3_656 ?
O00B K007 O00F 100.19(14) . 2_664 ?
O00B K007 O00J 94.41(15) 4_566 4_466 ?
O00B K007 O00J 94.41(15) . 1_455 ?
O00B K007 O00J 140.95(15) 4_566 1_455 ?
O00B K007 O00J 140.95(15) . 4_466 ?
O00F K007 Mo02 110.63(11) 2_664 . ?
O00F K007 Mo02 110.63(11) 3_656 4_566 ?
O00F K007 Mo02 38.13(9) 3_656 . ?
O00F K007 Mo02 38.13(9) 2_664 4_566 ?
O00F K007 O00F 147.2(2) 3_656 2_664 ?
O00G K007 Mo02 165.53(11) 4_466 . ?
O00G K007 Mo02 93.19(12) 4_466 4_566 ?
O00G K007 Mo02 93.19(12) 1_455 . ?
O00G K007 Mo02 165.53(11) 1_455 4_566 ?
O00G K007 O00B 115.93(15) 4_466 4_566 ?
O00G K007 O00B 135.70(14) 4_466 . ?
O00G K007 O00B 115.93(15) 1_455 . ?
O00G K007 O00B 135.70(14) 1_455 4_566 ?
O00G K007 O00F 137.98(15) 4_466 3_656 ?
O00G K007 O00F 137.98(15) 1_455 2_664 ?
O00G K007 O00F 68.54(15) 1_455 3_656 ?
O00G K007 O00F 68.54(15) 4_466 2_664 ?
O00G K007 O00G 96.4(2) 4_466 1_455 ?
O00G K007 O00I 80.50(16) 1_455 . ?
O00G K007 O00I 80.50(16) 4_466 4_566 ?
O00G K007 O00I 168.11(14) 4_466 . ?
O00G K007 O00I 168.11(14) 1_455 4_566 ?
O00G K007 O00J 80.70(16) 1_455 1_455 ?
O00G K007 O00J 80.70(16) 4_466 4_466 ?
O00G K007 O00J 60.23(16) 1_455 4_466 ?
O00G K007 O00J 60.23(16) 4_466 1_455 ?
O00I K007 Mo02 87.92(13) . 4_566 ?
O00I K007 Mo02 25.73(10) . . ?
O00I K007 Mo02 25.73(10) 4_566 4_566 ?
O00I K007 Mo02 87.92(13) 4_566 . ?
O00I K007 O00B 61.53(14) . 4_566 ?
O00I K007 O00B 61.53(14) 4_566 . ?
O00I K007 O00B 54.65(14) 4_566 4_566 ?
O00I K007 O00B 54.65(14) . . ?
O00I K007 O00F 106.15(15) . 2_664 ?
O00I K007 O00F 51.46(13) 4_566 2_664 ?
O00I K007 O00F 51.46(13) . 3_656 ?
O00I K007 O00F 106.15(15) 4_566 3_656 ?
O00I K007 O00I 104.8(2) . 4_566 ?
O00I K007 O00J 87.85(14) . 4_466 ?
O00I K007 O00J 129.79(16) . 1_455 ?
O00I K007 O00J 87.84(14) 4_566 1_455 ?
O00I K007 O00J 129.79(16) 4_566 4_466 ?
O00J K007 Mo02 110.99(12) 4_466 4_566 ?
O00J K007 Mo02 113.57(11) 1_455 4_566 ?
O00J K007 Mo02 113.57(11) 4_466 . ?
O00J K007 Mo02 110.99(12) 1_455 . ?
O00J K007 O00F 78.33(14) 1_455 3_656 ?
O00J K007 O00F 118.77(14) 1_455 2_664 ?
O00J K007 O00F 78.33(14) 4_466 2_664 ?
O00J K007 O00F 118.77(14) 4_466 3_656 ?
O00J K007 O00J 120.8(2) 4_466 1_455 ?
Mo02 O008 Mo02 154.7(4) . 3_656 ?
Mo02 O008 K004 91.92(2) 3_656 1_455 ?
Mo02 O008 K004 92.71(2) 3_656 . ?
Mo02 O008 K004 92.71(2) . 1_455 ?
Mo02 O008 K004 91.92(2) . . ?
K004 O008 K004 158.7(2) . 1_455 ?
Mo03 O009 Mo02 93.46(18) . . ?
P005 O009 Mo02 133.0(3) . . ?
P005 O009 Mo03 131.3(3) . . ?
P005 O00A P005 130.3(4) 3_756 . ?
Mo02 O00B K007 94.86(17) . . ?
Mo03 O00B Mo02 124.4(2) . . ?
Mo03 O00B K007 132.2(2) . . ?
Mo03 O00C K006 122.6(3) . 8_466 ?
Mo03 O00C K006 117.6(3) . . ?
K006 O00C K006 116.7(2) . 8_466 ?
Mo01 O00D Mo03 122.0(3) . . ?
Mo01 O00D K006 133.6(2) . 8_566 ?
Mo03 O00D K006 104.2(2) . 8_566 ?
Mo01 O00E Mo03 93.75(17) . 3_656 ?
Mo01 O00E K006 89.82(15) . 6_665 ?
Mo03 O00E K006 96.20(15) 3_656 6_665 ?
P005 O00E Mo01 125.9(3) . . ?
P005 O00E Mo03 127.0(3) . 3_656 ?
P005 O00E K006 115.0(2) . 6_665 ?
Mo02 O00F K004 99.33(17) 3_656 . ?
Mo02 O00F K007 82.82(14) 3_656 2_665 ?
K004 O00F K007 97.40(14) . 2_665 ?
P005 O00F Mo02 116.1(3) . 3_656 ?
P005 O00F K004 116.4(3) . . ?
P005 O00F K007 135.8(3) . 2_665 ?
Mo02 O00G K004 111.3(3) . . ?
Mo02 O00G K007 131.2(3) . 1_655 ?
K004 O00G K007 101.23(19) . 1_655 ?
Mo01 O00H K004 98.7(2) . 5_455 ?
Mo01 O00H K006 124.1(2) . 6_665 ?
K006 O00H K004 135.3(2) 6_665 5_455 ?
Mo02 O00I K004 96.3(2) . 1_455 ?
Mo02 O00I K006 112.3(3) . 4_566 ?
Mo02 O00I K007 103.1(2) . . ?
K006 O00I K004 108.31(16) 4_566 1_455 ?
K007 O00I K004 90.72(16) . 1_455 ?
K007 O00I K006 136.94(18) . 4_566 ?
Mo03 O00J K006 103.5(3) . 8_566 ?
Mo03 O00J K007 122.7(3) . 1_655 ?
K006 O00J K007 117.6(2) 8_566 1_655 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
K004 Mo01 O00H K006 166.5(4) 5_455 . . 6_665 ?
K004 Mo02 O00G K004 -66.1(4) 1_455 . . . ?
K004 Mo02 O00G K007 165.63(10) 1_455 . . 1_655 ?
K004 Mo02 O00G K007 -128.3(5) . . . 1_655 ?
K004 Mo02 O00I K004 99.63(16) . . . 1_455 ?
K004 Mo02 O00I K006 -13.1(3) . . . 4_566 ?
K004 Mo02 O00I K006 -112.8(3) 1_455 . . 4_566 ?
K004 Mo02 O00I K007 92.2(2) 1_455 . . . ?
K004 Mo02 O00I K007 -168.16(6) . . . . ?
K004 P005 O009 Mo02 47.5(3) . . . . ?
K004 P005 O009 Mo03 -154.5(4) . . . . ?
K004 P005 O00A P005 -0.002(1) . . . 3_756 ?
K004 P005 O00E Mo01 -157.7(2) . . . . ?
K004 P005 O00E Mo03 -27.3(7) . . . 3_656 ?
K004 P005 O00E K006 92.8(5) . . . 6_665 ?
K004 P005 O00F Mo02 -116.4(4) . . . 3_656 ?
K004 P005 O00F K007 135.8(5) . . . 2_665 ?
K006 Mo01 O00H K004 11.2(4) 8_466 . . 5_455 ?
K006 Mo01 O00H K004 -166.5(4) 6_665 . . 5_455 ?
K006 Mo01 O00H K006 177.67(8) 8_466 . . 6_665 ?
K006 Mo03 O00C K006 -159.4(5) . . . 8_466 ?
K006 Mo03 O00C K006 -106.4(3) 8_566 . . 8_466 ?
K006 Mo03 O00C K006 159.4(5) 8_466 . . . ?
K006 Mo03 O00C K006 53.0(3) 8_566 . . . ?
K006 Mo03 O00J K006 74.6(4) 8_466 . . 8_566 ?
K006 Mo03 O00J K006 94.9(2) . . . 8_566 ?
K006 Mo03 O00J K007 136.0(5) 8_566 . . 1_655 ?
K006 Mo03 O00J K007 -149.44(17) 8_466 . . 1_655 ?
K006 Mo03 O00J K007 -129.1(3) . . . 1_655 ?
K007 Mo02 O00G K004 -172.69(8) . . . . ?
K007 Mo02 O00G K007 59.0(4) . . . 1_655 ?
K007 Mo02 O00I K004 -92.2(2) . . . 1_455 ?
K007 Mo02 O00I K006 155.0(3) . . . 4_566 ?
O008 Mo02 O00G K004 -15.7(3) . . . . ?
O008 Mo02 O00G K007 -144.0(3) . . . 1_655 ?
O008 Mo02 O00I K004 39.7(2) . . . 1_455 ?
O008 Mo02 O00I K006 -73.1(2) . . . 4_566 ?
O008 Mo02 O00I K007 131.89(18) . . . . ?
O009 Mo02 O00G K004 64.6(2) . . . . ?
O009 Mo02 O00G K007 -63.7(3) . . . 1_655 ?
O009 Mo02 O00I K004 -65.2(13) . . . 1_455 ?
O009 Mo02 O00I K006 -178.0(11) . . . 4_566 ?
O009 Mo02 O00I K007 27.0(13) . . . . ?
O009 Mo03 O00C K006 28.0(8) . . . 8_466 ?
O009 Mo03 O00C K006 -172.6(4) . . . . ?
O009 Mo03 O00J K006 -88.2(2) . . . 8_566 ?
O009 Mo03 O00J K007 47.8(3) . . . 1_655 ?
O009 P005 O00A P005 -82.9(2) . . . 3_756 ?
O009 P005 O00E Mo01 -31.1(4) . . . . ?
O009 P005 O00E Mo03 99.3(4) . . . 3_656 ?
O009 P005 O00E K006 -140.6(2) . . . 6_665 ?
O009 P005 O00F Mo02 -65.7(3) . . . 3_656 ?
O009 P005 O00F K004 50.7(4) . . . . ?
O009 P005 O00F K007 -173.4(3) . . . 2_665 ?
O00A P005 O009 Mo02 136.6(4) . . . . ?
O00A P005 O009 Mo03 -65.3(4) . . . . ?
O00A P005 O00E Mo01 82.7(3) . . . . ?
O00A P005 O00E Mo03 -146.9(3) . . . 3_656 ?
O00A P005 O00E K006 -26.8(2) . . . 6_665 ?
O00A P005 O00F Mo02 175.9(2) . . . 3_656 ?
O00A P005 O00F K004 -67.7(3) . . . . ?
O00A P005 O00F K007 68.2(4) . . . 2_665 ?
O00B Mo02 O00G K004 132.0(2) . . . . ?
O00B Mo02 O00G K007 3.8(4) . . . 1_655 ?
O00B Mo02 O00I K004 -110.2(2) . . . 1_455 ?
O00B Mo02 O00I K006 137.0(2) . . . 4_566 ?
O00B Mo02 O00I K007 -18.0(3) . . . . ?
O00B Mo03 O00C K006 -103.8(3) . . . . ?
O00B Mo03 O00C K006 96.8(3) . . . 8_466 ?
O00B Mo03 O00J K006 -162.1(2) . . . 8_566 ?
O00B Mo03 O00J K007 -26.1(4) . . . 1_655 ?
O00C Mo03 O00J K006 94.2(3) . . . 8_566 ?
O00C Mo03 O00J K007 -129.8(3) . . . 1_655 ?
O00D Mo01 O00H K004 105.5(2) . . . 5_455 ?
O00D Mo01 O00H K004 -101.5(2) 3_656 . . 5_455 ?
O00D Mo01 O00H K006 65.0(3) 3_656 . . 6_665 ?
O00D Mo01 O00H K006 -88.0(3) . . . 6_665 ?
O00D Mo03 O00C K006 -60.1(3) . . . 8_466 ?
O00D Mo03 O00C K006 99.3(3) . . . . ?
O00D Mo03 O00J K006 -7.1(3) . . . 8_566 ?
O00D Mo03 O00J K007 128.8(3) . . . 1_655 ?
O00E Mo01 O00H K004 -173.2(2) . . . 5_455 ?
O00E Mo01 O00H K004 150.0(8) 3_656 . . 5_455 ?
O00E Mo01 O00H K006 -6.8(3) . . . 6_665 ?
O00E Mo01 O00H K006 -43.6(11) 3_656 . . 6_665 ?
O00E Mo03 O00C K006 169.5(3) 3_656 . . . ?
O00E Mo03 O00C K006 10.1(3) 3_656 . . 8_466 ?
O00E Mo03 O00J K006 -39.2(11) 3_656 . . 8_566 ?
O00E Mo03 O00J K007 96.8(9) 3_656 . . 1_655 ?
O00E P005 O009 Mo02 -112.9(4) . . . . ?
O00E P005 O009 Mo03 45.1(5) . . . . ?
O00E P005 O00A P005 158.8(2) . . . 3_756 ?
O00E P005 O00F Mo02 62.9(4) . . . 3_656 ?
O00E P005 O00F K004 179.3(2) . . . . ?
O00E P005 O00F K007 -44.9(5) . . . 2_665 ?
O00F Mo02 O00I K004 -37.36(16) 3_656 . . 1_455 ?
O00F Mo02 O00I K006 -150.1(2) 3_656 . . 4_566 ?
O00F Mo02 O00I K007 54.86(19) 3_656 . . . ?
O00F P005 O009 Mo02 16.0(5) . . . . ?
O00F P005 O009 Mo03 174.1(3) . . . . ?
O00F P005 O00A P005 38.2(2) . . . 3_756 ?
O00F P005 O00E Mo01 -158.8(3) . . . . ?
O00F P005 O00E Mo03 -28.4(4) . . . 3_656 ?
O00F P005 O00E K006 91.6(3) . . . 6_665 ?
O00G Mo02 O00I K004 144.2(2) . . . 1_455 ?
O00G Mo02 O00I K006 31.4(3) . . . 4_566 ?
O00G Mo02 O00I K007 -123.6(3) . . . . ?
O00H Mo01 O00H K004 -0.002(1) 3_656 . . 5_455 ?
O00H Mo01 O00H K006 166.5(4) 3_656 . . 6_665 ?
O00I Mo02 O00G K004 -120.6(3) . . . . ?
O00I Mo02 O00G K007 111.1(4) . . . 1_655 ?
O00J Mo03 O00C K006 1.0(4) . . . . ?
O00J Mo03 O00C K006 -158.4(3) . . . 8_466 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_nnn
_database_code_depnum_ccdc_archive 'CCDC 2392370'
loop_
_audit_author_name
_audit_author_address
'Zhixia Gao'
;Xinjiang Normal University
China
;
_audit_update_record             
;
2024-10-19 deposited with the CCDC.	2025-02-17 downloaded from the CCDC.
;
_audit_creation_date             2023-06-13
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cs3 K Mo5 O22 P2'
_chemical_formula_sum            'Cs3 K Mo5 O22 P2'
_chemical_formula_weight         1331.47
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   6.5727(11)
_cell_length_b                   19.456(2)
_cell_length_c                   17.865(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2284.6(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1124
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.09
_cell_measurement_theta_min      3.46
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.796
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5563
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1199 before and 0.0823 after correction.
The Ratio of minimum to maximum transmission is 0.7461.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.871
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2400
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1072
_diffrn_reflns_av_unetI/netI     0.0976
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8440
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.537
_diffrn_reflns_theta_min         2.280
_diffrn_ambient_temperature      296.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.738
_reflns_Friedel_fraction_full    0.979
_reflns_Friedel_fraction_max     0.969
_reflns_number_gt                2111
_reflns_number_total             2591
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.997
_refine_diff_density_min         -1.590
_refine_diff_density_rms         0.280
_refine_ls_abs_structure_details 
;
 Flack x determined using 703 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.03(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_reflns         2591
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0543
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0392P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1250
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(O5) \\sim Ueq, Uanis(Mo1) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
K1 K 0.000000 0.0836(3) 0.750000 0.0369(14) Uani 1 2 d S T P . .
Cs1 Cs 0.4657(3) 0.500000 0.500000 0.0406(5) Uani 1 2 d S T P . .
Cs2 Cs 0.4724(2) 0.23303(7) 0.59951(9) 0.0405(4) Uani 1 1 d . . . . .
Mo1 Mo 0.000000 0.26304(9) 0.750000 0.0208(4) Uani 1 2 d S TU P . .
Mo2 Mo 0.0060(3) 0.53002(7) 0.64663(9) 0.0227(3) Uani 1 1 d . . . . .
Mo3 Mo 0.0625(2) 0.36337(8) 0.90347(9) 0.0240(4) Uani 1 1 d . . . . .
P1 P 0.2824(6) 0.4119(2) 0.7359(3) 0.0187(10) Uani 1 1 d . . . . .
O1 O 0.272(3) 0.3624(8) 0.9575(8) 0.038(4) Uani 1 1 d . . . . .
O2 O -0.112(3) 0.3203(7) 0.9555(8) 0.039(4) Uani 1 1 d . . . . .
O3 O 0.1492(19) 0.2914(6) 0.8364(8) 0.025(3) Uani 1 1 d . . . . .
O4 O 0.173(2) 0.2079(6) 0.7156(8) 0.029(3) Uani 1 1 d . . . . .
O5 O 0.500000 0.3780(8) 0.750000 0.028(4) Uani 1 2 d S TU P . .
O6 O 0.1700(19) 0.3548(6) 0.6965(7) 0.019(2) Uani 1 1 d . . . . .
O7 O 0.304(2) 0.4753(6) 0.6896(8) 0.024(3) Uani 1 1 d . . . . .
O8 O 0.000000 0.5497(8) 0.750000 0.029(4) Uani 1 2 d S T P . .
O9 O -0.189(2) 0.4303(6) 0.6891(7) 0.025(3) Uani 1 1 d . . . . .
O10 O 0.036(2) 0.4556(6) 0.5788(7) 0.031(3) Uani 1 1 d . . . . .
O11 O 0.169(2) 0.5888(7) 0.6119(9) 0.033(3) Uani 1 1 d . . . . .
O12 O -0.222(2) 0.5640(7) 0.6203(8) 0.031(3) 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
K1 Mo1 3.491(5) . ?
K1 P1 3.643(6) 5_445 ?
K1 O4 2.742(13) 3_556 ?
K1 O4 2.742(13) . ?
K1 O7 2.694(14) 5_445 ?
K1 O7 2.694(14) 7_546 ?
K1 O8 3.352(3) 5_545 ?
K1 O8 3.352(3) 5_445 ?
K1 O11 3.289(16) 7_546 ?
K1 O11 3.289(16) 5_445 ?
K1 O12 2.973(15) 5_545 ?
K1 O12 2.973(15) 7_446 ?
Cs1 Mo2 4.041(2) . ?
Cs1 Mo2 4.041(2) 4_566 ?
Cs1 O1 3.274(16) 3_656 ?
Cs1 O1 3.274(16) 2_664 ?
Cs1 O7 3.581(14) . ?
Cs1 O7 3.581(14) 4_566 ?
Cs1 O10 3.269(14) 4_566 ?
Cs1 O10 3.269(14) . ?
Cs1 O11 3.282(15) . ?
Cs1 O11 3.282(15) 4_566 ?
Cs1 O12 3.221(14) 4_666 ?
Cs1 O12 3.221(14) 1_655 ?
Cs2 Mo2 4.0444(19) 5_545 ?
Cs2 Mo3 3.979(2) 6_554 ?
Cs2 Mo3 3.972(2) 3_656 ?
Cs2 O1 3.530(16) 6_554 ?
Cs2 O1 3.194(16) 3_656 ?
Cs2 O2 3.074(16) 3_556 ?
Cs2 O2 2.923(15) 6_554 ?
Cs2 O3 2.964(12) 3_656 ?
Cs2 O4 2.901(15) . ?
Cs2 O6 3.546(13) . ?
Cs2 O11 3.099(15) 5_545 ?
Cs2 O12 3.548(15) 5_545 ?
Mo1 O3 1.910(13) . ?
Mo1 O3 1.910(13) 3_556 ?
Mo1 O4 1.679(14) 3_556 ?
Mo1 O4 1.679(14) . ?
Mo1 O6 2.313(12) 3_556 ?
Mo1 O6 2.313(12) . ?
Mo2 O7 2.360(13) . ?
Mo2 O8 1.887(3) . ?
Mo2 O9 2.447(13) . ?
Mo2 O10 1.899(12) . ?
Mo2 O11 1.687(14) . ?
Mo2 O12 1.707(14) . ?
Mo3 O1 1.680(15) . ?
Mo3 O2 1.698(15) . ?
Mo3 O3 1.929(14) . ?
Mo3 O6 2.356(11) 3_556 ?
Mo3 O9 2.264(14) 3_556 ?
Mo3 O10 1.935(11) 3_556 ?
P1 O5 1.595(8) . ?
P1 O6 1.508(12) . ?
P1 O7 1.493(13) . ?
P1 O9 1.516(14) 3_556 ?

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
Mo1 K1 P1 156.50(8) . 5_445 ?
O4 K1 Mo1 28.1(3) . . ?
O4 K1 Mo1 28.1(3) 3_556 . ?
O4 K1 P1 131.4(3) 3_556 5_445 ?
O4 K1 P1 163.0(3) . 5_445 ?
O4 K1 O4 56.2(6) 3_556 . ?
O4 K1 O8 76.5(4) 3_556 5_445 ?
O4 K1 O8 125.4(4) 3_556 5_545 ?
O4 K1 O8 76.5(4) . 5_545 ?
O4 K1 O8 125.4(4) . 5_445 ?
O4 K1 O11 94.5(4) 3_556 7_546 ?
O4 K1 O11 82.4(4) 3_556 5_445 ?
O4 K1 O11 82.4(4) . 7_546 ?
O4 K1 O11 94.5(4) . 5_445 ?
O4 K1 O12 71.6(4) 3_556 7_446 ?
O4 K1 O12 71.6(4) . 5_545 ?
O4 K1 O12 122.8(4) . 7_446 ?
O4 K1 O12 122.8(4) 3_556 5_545 ?
O7 K1 Mo1 141.5(3) 7_546 . ?
O7 K1 Mo1 141.5(3) 5_445 . ?
O7 K1 P1 21.2(3) 5_445 5_445 ?
O7 K1 P1 59.8(3) 7_546 5_445 ?
O7 K1 O4 125.6(4) 7_546 . ?
O7 K1 O4 125.6(4) 5_445 3_556 ?
O7 K1 O4 142.9(4) 7_546 3_556 ?
O7 K1 O4 142.9(4) 5_445 . ?
O7 K1 O7 77.1(6) 5_445 7_546 ?
O7 K1 O8 108.3(4) 5_445 5_545 ?
O7 K1 O8 108.3(4) 7_546 5_445 ?
O7 K1 O8 51.6(4) 7_546 5_545 ?
O7 K1 O8 51.6(4) 5_445 5_445 ?
O7 K1 O11 53.7(4) 7_546 7_546 ?
O7 K1 O11 53.7(4) 5_445 5_445 ?
O7 K1 O11 129.8(4) 7_546 5_445 ?
O7 K1 O11 129.8(4) 5_445 7_546 ?
O7 K1 O12 85.4(4) 5_445 7_446 ?
O7 K1 O12 83.1(4) 7_546 7_446 ?
O7 K1 O12 85.4(4) 7_546 5_545 ?
O7 K1 O12 83.1(4) 5_445 5_545 ?
O8 K1 Mo1 101.3(3) 5_445 . ?
O8 K1 Mo1 101.3(3) 5_545 . ?
O8 K1 P1 55.6(3) 5_445 5_445 ?
O8 K1 P1 101.8(3) 5_545 5_445 ?
O8 K1 O8 157.3(5) 5_445 5_545 ?
O11 K1 Mo1 88.2(3) 7_546 . ?
O11 K1 Mo1 88.2(3) 5_445 . ?
O11 K1 P1 73.6(3) 5_445 5_445 ?
O11 K1 P1 109.8(3) 7_546 5_445 ?
O11 K1 O8 50.1(3) 7_546 5_545 ?
O11 K1 O8 130.8(3) 5_445 5_545 ?
O11 K1 O8 50.1(3) 5_445 5_445 ?
O11 K1 O8 130.8(3) 7_546 5_445 ?
O11 K1 O11 176.5(5) 7_546 5_445 ?
O12 K1 Mo1 97.4(3) 5_545 . ?
O12 K1 Mo1 97.4(3) 7_446 . ?
O12 K1 P1 94.0(3) 5_545 5_445 ?
O12 K1 P1 72.3(3) 7_446 5_445 ?
O12 K1 O8 51.2(3) 7_446 5_445 ?
O12 K1 O8 51.2(3) 5_545 5_545 ?
O12 K1 O8 125.2(3) 5_545 5_445 ?
O12 K1 O8 125.2(3) 7_446 5_545 ?
O12 K1 O11 100.5(4) 5_545 7_546 ?
O12 K1 O11 100.5(4) 7_446 5_445 ?
O12 K1 O11 79.9(4) 5_545 5_445 ?
O12 K1 O11 79.9(4) 7_446 7_546 ?
O12 K1 O12 165.3(6) 5_545 7_446 ?
Mo2 Cs1 Mo2 83.24(6) 4_566 . ?
O1 Cs1 Mo2 115.2(3) 3_656 4_566 ?
O1 Cs1 Mo2 115.2(3) 2_664 . ?
O1 Cs1 Mo2 111.2(3) 2_664 4_566 ?
O1 Cs1 Mo2 111.2(3) 3_656 . ?
O1 Cs1 O1 116.4(6) 2_664 3_656 ?
O1 Cs1 O7 119.0(3) 3_656 4_566 ?
O1 Cs1 O7 80.0(3) 2_664 4_566 ?
O1 Cs1 O7 119.0(3) 2_664 . ?
O1 Cs1 O7 80.0(3) 3_656 . ?
O1 Cs1 O11 91.4(3) 3_656 4_566 ?
O1 Cs1 O11 127.0(4) 3_656 . ?
O1 Cs1 O11 127.0(4) 2_664 4_566 ?
O1 Cs1 O11 91.4(3) 2_664 . ?
O7 Cs1 Mo2 35.4(2) 4_566 4_566 ?
O7 Cs1 Mo2 111.9(2) 4_566 . ?
O7 Cs1 Mo2 111.9(2) . 4_566 ?
O7 Cs1 Mo2 35.4(2) . . ?
O7 Cs1 O7 145.6(4) . 4_566 ?
O10 Cs1 Mo2 27.6(2) 4_566 4_566 ?
O10 Cs1 Mo2 66.1(2) 4_566 . ?
O10 Cs1 Mo2 27.6(2) . . ?
O10 Cs1 Mo2 66.1(2) . 4_566 ?
O10 Cs1 O1 140.4(3) . 2_664 ?
O10 Cs1 O1 140.4(3) 4_566 3_656 ?
O10 Cs1 O1 98.0(4) . 3_656 ?
O10 Cs1 O1 98.0(4) 4_566 2_664 ?
O10 Cs1 O7 45.7(3) 4_566 4_566 ?
O10 Cs1 O7 100.8(3) . 4_566 ?
O10 Cs1 O7 100.8(3) 4_566 . ?
O10 Cs1 O7 45.7(3) . . ?
O10 Cs1 O10 60.7(5) . 4_566 ?
O10 Cs1 O11 67.1(4) 4_566 . ?
O10 Cs1 O11 50.6(3) 4_566 4_566 ?
O10 Cs1 O11 50.6(3) . . ?
O10 Cs1 O11 67.1(4) . 4_566 ?
O11 Cs1 Mo2 91.6(3) 4_566 . ?
O11 Cs1 Mo2 23.9(2) . . ?
O11 Cs1 Mo2 23.9(2) 4_566 4_566 ?
O11 Cs1 Mo2 91.6(3) . 4_566 ?
O11 Cs1 O7 109.3(4) 4_566 . ?
O11 Cs1 O7 47.1(3) 4_566 4_566 ?
O11 Cs1 O7 47.1(3) . . ?
O11 Cs1 O7 109.3(4) . 4_566 ?
O11 Cs1 O11 107.2(5) 4_566 . ?
O12 Cs1 Mo2 89.3(3) 1_655 . ?
O12 Cs1 Mo2 164.6(3) 1_655 4_566 ?
O12 Cs1 Mo2 89.3(3) 4_666 4_566 ?
O12 Cs1 Mo2 164.6(3) 4_666 . ?
O12 Cs1 O1 80.0(4) 1_655 3_656 ?
O12 Cs1 O1 80.0(4) 4_666 2_664 ?
O12 Cs1 O1 60.2(4) 1_655 2_664 ?
O12 Cs1 O1 60.2(4) 4_666 3_656 ?
O12 Cs1 O7 140.1(3) 4_666 . ?
O12 Cs1 O7 67.0(3) 1_655 . ?
O12 Cs1 O7 140.1(3) 1_655 4_566 ?
O12 Cs1 O7 67.0(3) 4_666 4_566 ?
O12 Cs1 O10 111.4(3) 4_666 4_566 ?
O12 Cs1 O10 137.3(3) 1_655 4_566 ?
O12 Cs1 O10 111.4(3) 1_655 . ?
O12 Cs1 O10 137.3(3) 4_666 . ?
O12 Cs1 O11 171.0(3) 1_655 4_566 ?
O12 Cs1 O11 76.6(3) 4_666 4_566 ?
O12 Cs1 O11 171.0(3) 4_666 . ?
O12 Cs1 O11 76.6(3) 1_655 . ?
O12 Cs1 O12 100.9(5) 1_655 4_666 ?
Mo3 Cs2 Mo2 74.10(4) 6_554 5_545 ?
Mo3 Cs2 Mo2 125.75(5) 3_656 5_545 ?
Mo3 Cs2 Mo3 109.48(5) 3_656 6_554 ?
O1 Cs2 Mo2 70.2(3) 6_554 5_545 ?
O1 Cs2 Mo2 143.8(3) 3_656 5_545 ?
O1 Cs2 Mo3 24.9(3) 6_554 6_554 ?
O1 Cs2 Mo3 132.5(3) 6_554 3_656 ?
O1 Cs2 Mo3 97.0(3) 3_656 6_554 ?
O1 Cs2 Mo3 24.1(3) 3_656 3_656 ?
O1 Cs2 O1 115.1(2) 3_656 6_554 ?
O1 Cs2 O6 116.6(3) 6_554 . ?
O1 Cs2 O6 85.7(3) 3_656 . ?
O1 Cs2 O12 162.5(4) 3_656 5_545 ?
O1 Cs2 O12 54.8(3) 6_554 5_545 ?
O2 Cs2 Mo2 79.6(3) 6_554 5_545 ?
O2 Cs2 Mo2 130.4(3) 3_556 5_545 ?
O2 Cs2 Mo3 103.6(3) 3_556 3_656 ?
O2 Cs2 Mo3 86.3(3) 3_556 6_554 ?
O2 Cs2 Mo3 22.5(3) 6_554 6_554 ?
O2 Cs2 Mo3 88.4(3) 6_554 3_656 ?
O2 Cs2 O1 80.4(4) 6_554 3_656 ?
O2 Cs2 O1 82.4(4) 3_556 3_656 ?
O2 Cs2 O1 73.2(4) 3_556 6_554 ?
O2 Cs2 O1 47.4(4) 6_554 6_554 ?
O2 Cs2 O2 99.0(3) 6_554 3_556 ?
O2 Cs2 O3 102.3(4) 6_554 3_656 ?
O2 Cs2 O6 147.5(4) 6_554 . ?
O2 Cs2 O6 49.8(3) 3_556 . ?
O2 Cs2 O11 147.6(4) 3_556 5_545 ?
O2 Cs2 O11 67.0(4) 6_554 5_545 ?
O2 Cs2 O12 105.5(4) 3_556 5_545 ?
O2 Cs2 O12 82.9(4) 6_554 5_545 ?
O3 Cs2 Mo2 104.3(3) 3_656 5_545 ?
O3 Cs2 Mo3 27.7(3) 3_656 3_656 ?
O3 Cs2 Mo3 124.7(3) 3_656 6_554 ?
O3 Cs2 O1 149.4(4) 3_656 6_554 ?
O3 Cs2 O1 51.7(4) 3_656 3_656 ?
O3 Cs2 O2 123.9(4) 3_656 3_556 ?
O3 Cs2 O6 91.5(3) 3_656 . ?
O3 Cs2 O11 88.2(4) 3_656 5_545 ?
O3 Cs2 O12 128.1(3) 3_656 5_545 ?
O4 Cs2 Mo2 74.0(2) . 5_545 ?
O4 Cs2 Mo3 120.7(3) . 6_554 ?
O4 Cs2 Mo3 129.7(3) . 3_656 ?
O4 Cs2 O1 96.7(4) . 6_554 ?
O4 Cs2 O1 135.9(4) . 3_656 ?
O4 Cs2 O2 78.4(4) . 3_556 ?
O4 Cs2 O2 141.5(4) . 6_554 ?
O4 Cs2 O3 111.0(4) . 3_656 ?
O4 Cs2 O6 51.9(3) . . ?
O4 Cs2 O11 94.6(4) . 5_545 ?
O4 Cs2 O12 61.6(3) . 5_545 ?
O6 Cs2 Mo2 125.6(2) . 5_545 ?
O6 Cs2 Mo3 90.65(19) . 3_656 ?
O6 Cs2 Mo3 135.46(19) . 6_554 ?
O6 Cs2 O12 111.5(3) . 5_545 ?
O11 Cs2 Mo2 22.8(3) 5_545 5_545 ?
O11 Cs2 Mo3 104.9(3) 5_545 3_656 ?
O11 Cs2 Mo3 70.1(3) 5_545 6_554 ?
O11 Cs2 O1 121.1(4) 5_545 3_656 ?
O11 Cs2 O1 76.4(4) 5_545 6_554 ?
O11 Cs2 O6 143.6(3) 5_545 . ?
O11 Cs2 O12 45.9(3) 5_545 5_545 ?
O12 Cs2 Mo2 24.9(2) 5_545 5_545 ?
O12 Cs2 Mo3 68.6(2) 5_545 6_554 ?
O12 Cs2 Mo3 150.5(2) 5_545 3_656 ?
K1 Mo1 Cs2 82.42(3) . 3_656 ?
K1 Mo1 Cs2 82.42(3) . 1_455 ?
K1 Mo1 Cs2 81.91(3) . . ?
K1 Mo1 Cs2 81.91(3) . 3_556 ?
Cs2 Mo1 Cs2 164.84(6) 1_455 3_656 ?
Cs2 Mo1 Cs2 77.80(4) 3_556 1_455 ?
Cs2 Mo1 Cs2 100.03(3) . 1_455 ?
Cs2 Mo1 Cs2 100.03(3) 3_556 3_656 ?
Cs2 Mo1 Cs2 77.80(4) . 3_656 ?
Cs2 Mo1 Cs2 163.82(6) 3_556 . ?
O3 Mo1 K1 106.8(4) . . ?
O3 Mo1 K1 106.8(4) 3_556 . ?
O3 Mo1 Cs2 100.4(4) . . ?
O3 Mo1 Cs2 84.3(4) . 3_556 ?
O3 Mo1 Cs2 31.2(4) . 3_656 ?
O3 Mo1 Cs2 84.3(4) 3_556 . ?
O3 Mo1 Cs2 158.6(4) 3_556 3_656 ?
O3 Mo1 Cs2 158.6(4) . 1_455 ?
O3 Mo1 Cs2 31.2(4) 3_556 1_455 ?
O3 Mo1 Cs2 100.4(4) 3_556 3_556 ?
O3 Mo1 O3 146.5(7) . 3_556 ?
O3 Mo1 O6 82.1(5) . . ?
O3 Mo1 O6 72.0(5) . 3_556 ?
O3 Mo1 O6 82.1(5) 3_556 3_556 ?
O3 Mo1 O6 72.0(5) 3_556 . ?
O4 Mo1 K1 50.3(4) 3_556 . ?
O4 Mo1 K1 50.3(4) . . ?
O4 Mo1 Cs2 102.9(5) . 1_455 ?
O4 Mo1 Cs2 66.9(5) . 3_656 ?
O4 Mo1 Cs2 130.8(4) 3_556 . ?
O4 Mo1 Cs2 66.9(5) 3_556 1_455 ?
O4 Mo1 Cs2 130.8(4) . 3_556 ?
O4 Mo1 Cs2 33.5(4) 3_556 3_556 ?
O4 Mo1 Cs2 33.5(4) . . ?
O4 Mo1 Cs2 102.9(5) 3_556 3_656 ?
O4 Mo1 O3 97.6(6) . . ?
O4 Mo1 O3 103.6(6) 3_556 . ?
O4 Mo1 O3 103.6(6) . 3_556 ?
O4 Mo1 O3 97.6(6) 3_556 3_556 ?
O4 Mo1 O4 100.6(9) . 3_556 ?
O4 Mo1 O6 90.9(5) 3_556 3_556 ?
O4 Mo1 O6 90.9(5) . . ?
O4 Mo1 O6 166.2(6) . 3_556 ?
O4 Mo1 O6 166.2(6) 3_556 . ?
O6 Mo1 K1 140.5(3) . . ?
O6 Mo1 K1 140.5(3) 3_556 . ?
O6 Mo1 Cs2 88.5(3) 3_556 1_455 ?
O6 Mo1 Cs2 103.2(3) . 1_455 ?
O6 Mo1 Cs2 58.6(3) . . ?
O6 Mo1 Cs2 58.6(3) 3_556 3_556 ?
O6 Mo1 Cs2 137.6(3) 3_556 . ?
O6 Mo1 Cs2 88.5(3) . 3_656 ?
O6 Mo1 Cs2 103.2(3) 3_556 3_656 ?
O6 Mo1 Cs2 137.6(3) . 3_556 ?
O6 Mo1 O6 78.9(6) . 3_556 ?
K1 Mo2 K1 114.33(7) 5 5_455 ?
K1 Mo2 Cs1 73.84(4) 5 . ?
K1 Mo2 Cs1 68.74(4) 5_455 1_455 ?
K1 Mo2 Cs1 169.57(7) 5 1_455 ?
K1 Mo2 Cs1 166.42(6) 5_455 . ?
K1 Mo2 Cs2 83.24(8) 5 5_455 ?
K1 Mo2 Cs2 78.07(8) 5_455 5_455 ?
Cs1 Mo2 Cs1 101.31(4) . 1_455 ?
Cs1 Mo2 Cs2 92.70(4) . 5_455 ?
Cs2 Mo2 Cs1 87.83(4) 5_455 1_455 ?
O7 Mo2 K1 131.9(3) . 5_455 ?
O7 Mo2 K1 43.2(3) . 5 ?
O7 Mo2 Cs1 61.6(3) . . ?
O7 Mo2 Cs1 142.7(3) . 1_455 ?
O7 Mo2 Cs2 123.6(3) . 5_455 ?
O7 Mo2 O9 88.7(5) . . ?
O8 Mo2 K1 59.79(10) . 5 ?
O8 Mo2 K1 58.01(10) . 5_455 ?
O8 Mo2 Cs1 125.87(7) . 1_455 ?
O8 Mo2 Cs1 132.82(7) . . ?
O8 Mo2 Cs2 90.2(4) . 5_455 ?
O8 Mo2 O7 77.9(4) . . ?
O8 Mo2 O9 81.2(5) . . ?
O8 Mo2 O10 141.5(6) . . ?
O9 Mo2 K1 120.3(3) . 5 ?
O9 Mo2 K1 67.8(3) . 5_455 ?
O9 Mo2 Cs1 70.1(3) . 1_455 ?
O9 Mo2 Cs1 118.6(3) . . ?
O9 Mo2 Cs2 144.1(3) . 5_455 ?
O10 Mo2 K1 126.1(4) . 5_455 ?
O10 Mo2 K1 114.9(5) . 5 ?
O10 Mo2 Cs1 52.9(4) . . ?
O10 Mo2 Cs1 66.9(4) . 1_455 ?
O10 Mo2 Cs2 128.1(4) . 5_455 ?
O10 Mo2 O7 77.1(5) . . ?
O10 Mo2 O9 69.4(5) . . ?
O11 Mo2 K1 57.3(5) . 5 ?
O11 Mo2 K1 122.0(5) . 5_455 ?
O11 Mo2 Cs1 112.4(5) . 1_455 ?
O11 Mo2 Cs1 51.9(5) . . ?
O11 Mo2 Cs2 45.3(5) . 5_455 ?
O11 Mo2 O7 84.0(6) . . ?
O11 Mo2 O8 103.6(6) . . ?
O11 Mo2 O9 170.2(6) . . ?
O11 Mo2 O10 102.4(6) . . ?
O11 Mo2 O12 101.3(8) . . ?
O12 Mo2 K1 44.3(5) . 5_455 ?
O12 Mo2 K1 139.8(5) . 5 ?
O12 Mo2 Cs1 35.6(5) . 1_455 ?
O12 Mo2 Cs1 122.4(5) . . ?
O12 Mo2 Cs2 61.1(5) . 5_455 ?
O12 Mo2 O7 174.6(6) . . ?
O12 Mo2 O8 99.9(5) . . ?
O12 Mo2 O9 86.0(6) . . ?
O12 Mo2 O10 102.2(7) . . ?
Cs2 Mo3 Cs1 88.89(4) 6 2_665 ?
Cs2 Mo3 Cs1 81.35(4) 3_656 2_665 ?
Cs2 Mo3 Cs1 157.33(5) 3_556 2_665 ?
Cs2 Mo3 Cs2 71.84(4) 6 3_556 ?
Cs2 Mo3 Cs2 75.83(4) 3_656 6 ?
Cs2 Mo3 Cs2 104.51(5) 3_656 3_556 ?
O1 Mo3 Cs1 37.9(5) . 2_665 ?
O1 Mo3 Cs2 131.6(5) . 3_556 ?
O1 Mo3 Cs2 51.0(5) . 3_656 ?
O1 Mo3 Cs2 62.4(5) . 6 ?
O1 Mo3 O2 103.5(8) . . ?
O1 Mo3 O3 96.1(6) . . ?
O1 Mo3 O6 164.9(7) . 3_556 ?
O1 Mo3 O9 97.1(6) . 3_556 ?
O1 Mo3 O10 101.0(7) . 3_556 ?
O2 Mo3 Cs1 123.8(5) . 2_665 ?
O2 Mo3 Cs2 33.9(5) . 3_556 ?
O2 Mo3 Cs2 102.3(6) . 3_656 ?
O2 Mo3 Cs2 41.2(6) . 6 ?
O2 Mo3 O3 100.4(7) . . ?
O2 Mo3 O6 86.6(6) . 3_556 ?
O2 Mo3 O9 158.8(7) . 3_556 ?
O2 Mo3 O10 98.1(7) . 3_556 ?
O3 Mo3 Cs1 118.1(4) . 2_665 ?
O3 Mo3 Cs2 45.6(4) . 3_656 ?
O3 Mo3 Cs2 102.8(4) . 6 ?
O3 Mo3 Cs2 78.9(4) . 3_556 ?
O3 Mo3 O6 70.7(5) . 3_556 ?
O3 Mo3 O9 81.7(5) . 3_556 ?
O3 Mo3 O10 151.0(5) . 3_556 ?
O6 Mo3 Cs1 142.2(3) 3_556 2_665 ?
O6 Mo3 Cs2 126.6(3) 3_556 6 ?
O6 Mo3 Cs2 54.8(3) 3_556 3_556 ?
O6 Mo3 Cs2 116.4(3) 3_556 3_656 ?
O9 Mo3 Cs1 71.4(3) 3_556 2_665 ?
O9 Mo3 Cs2 159.2(4) 3_556 6 ?
O9 Mo3 Cs2 94.2(4) 3_556 3_656 ?
O9 Mo3 Cs2 128.8(4) 3_556 3_556 ?
O9 Mo3 O6 74.1(5) 3_556 3_556 ?
O10 Mo3 Cs1 67.4(4) 3_556 2_665 ?
O10 Mo3 Cs2 148.5(4) 3_556 3_656 ?
O10 Mo3 Cs2 105.9(4) 3_556 6 ?
O10 Mo3 Cs2 105.8(4) 3_556 3_556 ?
O10 Mo3 O6 88.4(5) 3_556 3_556 ?
O10 Mo3 O9 73.1(5) 3_556 3_556 ?
O5 P1 K1 90.9(5) . 5 ?
O6 P1 K1 154.1(5) . 5 ?
O6 P1 O5 102.0(7) . . ?
O6 P1 O9 112.9(7) . 3_556 ?
O7 P1 K1 40.7(6) . 5 ?
O7 P1 O5 110.0(7) . . ?
O7 P1 O6 113.4(8) . . ?
O7 P1 O9 109.5(7) . 3_556 ?
O9 P1 K1 83.1(5) 3_556 5 ?
O9 P1 O5 108.7(6) 3_556 . ?
Cs1 O1 Cs2 120.2(5) 2_665 6 ?
Cs2 O1 Cs1 116.2(5) 3_656 2_665 ?
Cs2 O1 Cs2 93.1(4) 3_656 6 ?
Mo3 O1 Cs1 123.7(7) . 2_665 ?
Mo3 O1 Cs2 104.9(7) . 3_656 ?
Mo3 O1 Cs2 92.7(6) . 6 ?
Cs2 O2 Cs2 109.1(4) 6 3_556 ?
Mo3 O2 Cs2 116.4(8) . 6 ?
Mo3 O2 Cs2 128.2(7) . 3_556 ?
Mo1 O3 Cs2 129.2(6) . 3_656 ?
Mo1 O3 Mo3 124.0(6) . . ?
Mo3 O3 Cs2 106.6(5) . 3_656 ?
K1 O4 Cs2 126.2(5) . . ?
Mo1 O4 K1 101.6(6) . . ?
Mo1 O4 Cs2 127.8(6) . . ?
P1 O5 P1 131.1(11) 3_656 . ?
Mo1 O6 Cs2 87.5(3) . . ?
Mo1 O6 Mo3 93.1(4) . 3_556 ?
Mo3 O6 Cs2 92.3(4) 3_556 . ?
P1 O6 Cs2 116.5(6) . . ?
P1 O6 Mo1 127.7(7) . . ?
P1 O6 Mo3 128.3(7) . 3_556 ?
K1 O7 Cs1 97.6(4) 5 . ?
Mo2 O7 K1 100.0(4) . 5 ?
Mo2 O7 Cs1 83.0(4) . . ?
P1 O7 K1 118.1(8) . 5 ?
P1 O7 Cs1 131.6(7) . . ?
P1 O7 Mo2 118.2(7) . . ?
K1 O8 K1 157.3(5) 5 5_455 ?
Mo2 O8 K1 93.47(7) 3_556 5 ?
Mo2 O8 K1 91.11(7) 3_556 5_455 ?
Mo2 O8 K1 91.11(7) . 5 ?
Mo2 O8 K1 93.47(7) . 5_455 ?
Mo2 O8 Mo2 156.5(9) . 3_556 ?
Mo3 O9 Mo2 92.1(5) 3_556 . ?
P1 O9 Mo2 132.3(8) 3_556 . ?
P1 O9 Mo3 131.1(7) 3_556 3_556 ?
Mo2 O10 Cs1 99.4(5) . . ?
Mo2 O10 Mo3 124.6(7) . 3_556 ?
Mo3 O10 Cs1 127.3(6) 3_556 . ?
Cs1 O11 K1 92.8(4) . 5 ?
Cs2 O11 K1 110.9(4) 5_455 5 ?
Cs2 O11 Cs1 132.9(5) 5_455 . ?
Mo2 O11 K1 97.1(6) . 5 ?
Mo2 O11 Cs1 104.2(6) . . ?
Mo2 O11 Cs2 112.0(7) . 5_455 ?
K1 O12 Cs1 100.3(4) 5_455 1_455 ?
K1 O12 Cs2 100.6(4) 5_455 5_455 ?
Cs1 O12 Cs2 121.2(4) 1_455 5_455 ?
Mo2 O12 K1 112.0(6) . 5_455 ?
Mo2 O12 Cs1 126.4(7) . 1_455 ?
Mo2 O12 Cs2 94.1(6) . 5_455 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
K1 Mo1 O4 Cs2 157.2(11) . . . . ?
K1 Mo2 O8 K1 157.8(5) 5 . . 5_455 ?
K1 Mo2 O8 K1 -157.8(5) 5_455 . . 5 ?
K1 Mo2 O8 Mo2 100.9(3) 5_455 . . 3_556 ?
K1 Mo2 O8 Mo2 -101.4(3) 5 . . 3_556 ?
K1 Mo2 O10 Cs1 163.12(12) 5_455 . . . ?
K1 Mo2 O10 Cs1 -42.7(4) 5 . . . ?
K1 Mo2 O10 Mo3 -47.6(10) 5_455 . . 3_556 ?
K1 Mo2 O10 Mo3 106.6(8) 5 . . 3_556 ?
K1 Mo2 O11 K1 100.1(5) 5_455 . . 5 ?
K1 Mo2 O11 Cs1 -165.13(14) 5_455 . . . ?
K1 Mo2 O11 Cs1 94.7(6) 5 . . . ?
K1 Mo2 O11 Cs2 -15.9(8) 5_455 . . 5_455 ?
K1 Mo2 O11 Cs2 -116.0(7) 5 . . 5_455 ?
K1 Mo2 O12 K1 -72.7(9) 5 . . 5_455 ?
K1 Mo2 O12 Cs1 164.7(2) 5 . . 1_455 ?
K1 Mo2 O12 Cs1 -122.6(11) 5_455 . . 1_455 ?
K1 Mo2 O12 Cs2 30.5(8) 5 . . 5_455 ?
K1 Mo2 O12 Cs2 103.2(6) 5_455 . . 5_455 ?
K1 P1 O5 P1 0.001(1) 5 . . 3_656 ?
K1 P1 O6 Cs2 93.8(11) 5 . . . ?
K1 P1 O6 Mo1 -157.3(6) 5 . . . ?
K1 P1 O6 Mo3 -23.0(18) 5 . . 3_556 ?
K1 P1 O7 Cs1 132.5(13) 5 . . . ?
K1 P1 O7 Mo2 -120.6(11) 5 . . . ?
Cs1 Mo2 O8 K1 -169.53(12) 1_455 . . 5 ?
Cs1 Mo2 O8 K1 169.64(17) . . . 5_455 ?
Cs1 Mo2 O8 K1 -11.7(6) 1_455 . . 5_455 ?
Cs1 Mo2 O8 K1 11.9(7) . . . 5 ?
Cs1 Mo2 O8 Mo2 89.1(3) 1_455 . . 3_556 ?
Cs1 Mo2 O8 Mo2 -89.5(4) . . . 3_556 ?
Cs1 Mo2 O10 Cs1 126.1(4) 1_455 . . . ?
Cs1 Mo2 O10 Mo3 -84.6(8) 1_455 . . 3_556 ?
Cs1 Mo2 O10 Mo3 149.3(11) . . . 3_556 ?
Cs1 Mo2 O11 K1 178.30(14) 1_455 . . 5 ?
Cs1 Mo2 O11 K1 -94.7(6) . . . 5 ?
Cs1 Mo2 O11 Cs1 -87.0(5) 1_455 . . . ?
Cs1 Mo2 O11 Cs2 149.3(9) . . . 5_455 ?
Cs1 Mo2 O11 Cs2 62.3(6) 1_455 . . 5_455 ?
Cs1 Mo2 O12 K1 -176.5(2) . . . 5_455 ?
Cs1 Mo2 O12 K1 122.6(11) 1_455 . . 5_455 ?
Cs1 Mo2 O12 Cs1 60.9(9) . . . 1_455 ?
Cs1 Mo2 O12 Cs2 -134.3(9) 1_455 . . 5_455 ?
Cs1 Mo2 O12 Cs2 -73.3(5) . . . 5_455 ?
Cs1 Mo3 O1 Cs2 129.6(9) 2_665 . . 6 ?
Cs1 Mo3 O1 Cs2 -136.5(11) 2_665 . . 3_656 ?
Cs1 Mo3 O2 Cs2 -36.7(9) 2_665 . . 6 ?
Cs1 Mo3 O2 Cs2 174.5(5) 2_665 . . 3_556 ?
Cs2 Mo1 O4 K1 99.6(5) 3_656 . . . ?
Cs2 Mo1 O4 K1 -68.5(4) 1_455 . . . ?
Cs2 Mo1 O4 K1 -157.2(11) . . . . ?
Cs2 Mo1 O4 K1 16.4(8) 3_556 . . . ?
Cs2 Mo1 O4 Cs2 173.6(3) 3_556 . . . ?
Cs2 Mo1 O4 Cs2 -103.2(8) 3_656 . . . ?
Cs2 Mo1 O4 Cs2 88.7(7) 1_455 . . . ?
Cs2 Mo2 O8 K1 75.7(3) 5_455 . . 5_455 ?
Cs2 Mo2 O8 K1 -82.0(3) 5_455 . . 5 ?
Cs2 Mo2 O8 Mo2 176.61(4) 5_455 . . 3_556 ?
Cs2 Mo2 O10 Cs1 58.8(6) 5_455 . . . ?
Cs2 Mo2 O10 Mo3 -151.9(5) 5_455 . . 3_556 ?
Cs2 Mo2 O11 K1 116.0(7) 5_455 . . 5 ?
Cs2 Mo2 O11 Cs1 -149.3(9) 5_455 . . . ?
Cs2 Mo2 O12 K1 -103.2(6) 5_455 . . 5_455 ?
Cs2 Mo2 O12 Cs1 134.3(9) 5_455 . . 1_455 ?
Cs2 Mo3 O1 Cs1 136.5(11) 3_656 . . 2_665 ?
Cs2 Mo3 O1 Cs1 -129.6(9) 6 . . 2_665 ?
Cs2 Mo3 O1 Cs1 -150.2(4) 3_556 . . 2_665 ?
Cs2 Mo3 O1 Cs2 73.2(8) 3_556 . . 3_656 ?
Cs2 Mo3 O1 Cs2 93.9(5) 6 . . 3_656 ?
Cs2 Mo3 O1 Cs2 -93.9(5) 3_656 . . 6 ?
Cs2 Mo3 O1 Cs2 -20.7(8) 3_556 . . 6 ?
Cs2 Mo3 O2 Cs2 -97.8(8) 3_656 . . 3_556 ?
Cs2 Mo3 O2 Cs2 -148.8(14) 6 . . 3_556 ?
Cs2 Mo3 O2 Cs2 51.0(7) 3_656 . . 6 ?
Cs2 Mo3 O2 Cs2 148.8(14) 3_556 . . 6 ?
O1 Mo3 O2 Cs2 -150.2(9) . . . 3_556 ?
O1 Mo3 O2 Cs2 -1.4(9) . . . 6 ?
O2 Mo3 O1 Cs1 -128.5(8) . . . 2_665 ?
O2 Mo3 O1 Cs2 95.0(7) . . . 3_656 ?
O2 Mo3 O1 Cs2 1.1(7) . . . 6 ?
O3 Mo1 O4 K1 -100.6(5) 3_556 . . . ?
O3 Mo1 O4 K1 105.5(5) . . . . ?
O3 Mo1 O4 Cs2 56.6(9) 3_556 . . . ?
O3 Mo1 O4 Cs2 -97.3(8) . . . . ?
O3 Mo3 O1 Cs1 129.2(8) . . . 2_665 ?
O3 Mo3 O1 Cs2 -101.2(5) . . . 6 ?
O3 Mo3 O1 Cs2 -7.3(6) . . . 3_656 ?
O3 Mo3 O2 Cs2 97.6(7) . . . 6 ?
O3 Mo3 O2 Cs2 -51.2(10) . . . 3_556 ?
O4 Mo1 O4 K1 0.002(1) 3_556 . . . ?
O4 Mo1 O4 Cs2 157.2(11) 3_556 . . . ?
O5 P1 O6 Cs2 -24.8(6) . . . . ?
O5 P1 O6 Mo1 84.1(8) . . . . ?
O5 P1 O6 Mo3 -141.5(7) . . . 3_556 ?
O5 P1 O7 K1 -66.7(8) . . . 5 ?
O5 P1 O7 Cs1 65.8(10) . . . . ?
O5 P1 O7 Mo2 172.7(6) . . . . ?
O6 Mo1 O4 K1 146(2) 3_556 . . . ?
O6 Mo1 O4 K1 -172.3(5) . . . . ?
O6 Mo1 O4 Cs2 -15.1(8) . . . . ?
O6 Mo1 O4 Cs2 -57(3) 3_556 . . . ?
O6 Mo3 O1 Cs1 100(2) 3_556 . . 2_665 ?
O6 Mo3 O1 Cs2 -130(2) 3_556 . . 6 ?
O6 Mo3 O1 Cs2 -36(2) 3_556 . . 3_656 ?
O6 Mo3 O2 Cs2 167.2(7) 3_556 . . 6 ?
O6 Mo3 O2 Cs2 18.4(9) 3_556 . . 3_556 ?
O6 P1 O5 P1 157.5(6) . . . 3_656 ?
O6 P1 O7 K1 179.8(7) . . . 5 ?
O6 P1 O7 Cs1 -47.7(11) . . . . ?
O6 P1 O7 Mo2 59.2(10) . . . . ?
O7 Mo2 O8 K1 -159.8(5) . . . 5_455 ?
O7 Mo2 O8 K1 42.4(4) . . . 5 ?
O7 Mo2 O8 Mo2 -59.0(3) . . . 3_556 ?
O7 Mo2 O10 Cs1 -64.0(4) . . . . ?
O7 Mo2 O10 Mo3 85.3(9) . . . 3_556 ?
O7 Mo2 O11 K1 -36.5(5) . . . 5 ?
O7 Mo2 O11 Cs1 58.3(5) . . . . ?
O7 Mo2 O11 Cs2 -152.5(7) . . . 5_455 ?
O7 P1 O5 P1 36.8(6) . . . 3_656 ?
O7 P1 O6 Cs2 93.5(7) . . . . ?
O7 P1 O6 Mo1 -157.6(8) . . . . ?
O7 P1 O6 Mo3 -23.3(11) . . . 3_556 ?
O8 Mo2 O10 Cs1 -114.8(5) . . . . ?
O8 Mo2 O10 Mo3 34.5(13) . . . 3_556 ?
O8 Mo2 O11 K1 39.6(5) . . . 5 ?
O8 Mo2 O11 Cs1 134.3(5) . . . . ?
O8 Mo2 O11 Cs2 -76.5(6) . . . 5_455 ?
O8 Mo2 O12 K1 -18.5(7) . . . 5_455 ?
O8 Mo2 O12 Cs1 -141.0(8) . . . 1_455 ?
O8 Mo2 O12 Cs2 84.7(5) . . . 5_455 ?
O9 Mo2 O8 K1 133.0(4) . . . 5 ?
O9 Mo2 O8 K1 -69.2(4) . . . 5_455 ?
O9 Mo2 O8 Mo2 31.6(3) . . . 3_556 ?
O9 Mo2 O10 Cs1 -157.5(6) . . . . ?
O9 Mo2 O10 Mo3 -8.3(7) . . . 3_556 ?
O9 Mo2 O12 K1 61.9(6) . . . 5_455 ?
O9 Mo2 O12 Cs1 -60.7(7) . . . 1_455 ?
O9 Mo2 O12 Cs2 165.0(4) . . . 5_455 ?
O9 Mo3 O1 Cs1 46.8(8) 3_556 . . 2_665 ?
O9 Mo3 O1 Cs2 176.4(4) 3_556 . . 6 ?
O9 Mo3 O1 Cs2 -89.7(5) 3_556 . . 3_656 ?
O9 Mo3 O2 Cs2 -168.5(11) 3_556 . . 6 ?
O9 Mo3 O2 Cs2 43(2) 3_556 . . 3_556 ?
O9 P1 O5 P1 -83.1(6) 3_556 . . 3_656 ?
O9 P1 O6 Cs2 -141.2(7) 3_556 . . . ?
O9 P1 O6 Mo1 -32.3(11) 3_556 . . . ?
O9 P1 O6 Mo3 102.0(10) 3_556 . . 3_556 ?
O9 P1 O7 K1 52.7(9) 3_556 . . 5 ?
O9 P1 O7 Cs1 -174.8(8) 3_556 . . . ?
O9 P1 O7 Mo2 -67.9(10) 3_556 . . . ?
O10 Mo2 O8 K1 -109.3(7) . . . 5_455 ?
O10 Mo2 O8 K1 92.9(8) . . . 5 ?
O10 Mo2 O8 Mo2 -8.4(7) . . . 3_556 ?
O10 Mo2 O11 K1 -111.8(5) . . . 5 ?
O10 Mo2 O11 Cs1 -17.1(7) . . . . ?
O10 Mo2 O11 Cs2 132.2(6) . . . 5_455 ?
O10 Mo2 O12 K1 129.8(6) . . . 5_455 ?
O10 Mo2 O12 Cs1 7.2(9) . . . 1_455 ?
O10 Mo2 O12 Cs2 -127.0(4) . . . 5_455 ?
O10 Mo3 O1 Cs1 -27.3(9) 3_556 . . 2_665 ?
O10 Mo3 O1 Cs2 -163.8(5) 3_556 . . 3_656 ?
O10 Mo3 O1 Cs2 102.3(5) 3_556 . . 6 ?
O10 Mo3 O2 Cs2 -104.9(7) 3_556 . . 6 ?
O10 Mo3 O2 Cs2 106.3(9) 3_556 . . 3_556 ?
O11 Mo2 O8 K1 119.4(6) . . . 5_455 ?
O11 Mo2 O8 K1 -38.3(7) . . . 5 ?
O11 Mo2 O8 Mo2 -139.7(6) . . . 3_556 ?
O11 Mo2 O10 Cs1 16.8(7) . . . . ?
O11 Mo2 O10 Mo3 166.1(9) . . . 3_556 ?
O11 Mo2 O12 K1 -124.7(7) . . . 5_455 ?
O11 Mo2 O12 Cs1 112.8(9) . . . 1_455 ?
O11 Mo2 O12 Cs2 -21.5(6) . . . 5_455 ?
O12 Mo2 O8 K1 -142.7(5) . . . 5 ?
O12 Mo2 O8 K1 15.1(6) . . . 5_455 ?
O12 Mo2 O8 Mo2 116.0(5) . . . 3_556 ?
O12 Mo2 O10 Cs1 121.5(6) . . . . ?
O12 Mo2 O10 Mo3 -89.2(10) . . . 3_556 ?
O12 Mo2 O11 K1 142.8(6) . . . 5 ?
O12 Mo2 O11 Cs1 -122.5(7) . . . . ?
O12 Mo2 O11 Cs2 26.8(7) . . . 5_455 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_ampo
_database_code_depnum_ccdc_archive 'CCDC 2392371'
loop_
_audit_author_name
_audit_author_address
'Zhixia Gao'
;Xinjiang Normal University
China
;
_audit_update_record             
;
2024-10-19 deposited with the CCDC.	2025-02-17 downloaded from the CCDC.
;
_audit_creation_date             2024-01-14
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Mo5 Na O22 P2 Rb3'
_chemical_formula_sum            'Mo5 Na O22 P2 Rb3'
_chemical_formula_weight         1173.04
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   6.5267(9)
_cell_length_b                   18.628(3)
_cell_length_c                   17.559(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2134.8(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1495
_cell_measurement_temperature    152.0
_cell_measurement_theta_max      25.497
_cell_measurement_theta_min      2.475
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.921
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5526
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0877 before and 0.0682 after correction.
The Ratio of minimum to maximum transmission is 0.7411.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.650
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2152
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_av_unetI/netI     0.0844
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5934
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.490
_diffrn_reflns_theta_min         2.187
_diffrn_ambient_temperature      152.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.712
_reflns_Friedel_fraction_full    0.951
_reflns_Friedel_fraction_max     0.941
_reflns_number_gt                1859
_reflns_number_total             2386
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.912
_refine_diff_density_min         -1.078
_refine_diff_density_rms         0.212
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.03(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         2386
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0427
_refine_ls_restrained_S_all      0.998
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0220P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0811
_refine_ls_wR_factor_ref         0.0873
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.97(2)
 0.03(2)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Na1 Na 1.000000 0.5751(3) 0.250000 0.036(2) Uani 1 2 d S T P . .
Rb1 Rb 0.5387(2) 0.26445(7) 0.60192(9) 0.0360(4) Uani 1 1 d . . . . .
Rb2 Rb 1.0458(4) 0.500000 0.500000 0.0547(7) Uani 1 2 d S T P . .
Mo1 Mo 0.56790(19) 0.35722(6) 0.40548(7) 0.0263(3) Uani 1 1 d . . . . .
Mo2 Mo 0.4975(2) 0.53063(5) 0.35546(7) 0.0271(3) Uani 1 1 d . . . . .
Mo3 Mo 0.500000 0.25218(8) 0.250000 0.0255(4) Uani 1 2 d S T P . .
P1 P 0.7826(5) 0.40869(17) 0.23421(19) 0.0219(8) Uani 1 1 d . . . . .
O1 O 0.3274(16) 0.1948(5) 0.2880(6) 0.036(3) Uani 1 1 d . . . . .
O2 O 0.6559(14) 0.2831(5) 0.3368(5) 0.027(2) Uani 1 1 d . . . . .
O3 O 0.6709(13) 0.3487(5) 0.1941(5) 0.024(2) Uani 1 1 d . . . . .
O4 O 0.3979(16) 0.3108(5) 0.4584(5) 0.035(3) Uani 1 1 d . . . . .
O5 O 0.7870(17) 0.3602(6) 0.4576(6) 0.039(3) Uani 1 1 d . . . . .
O6 O 0.4598(15) 0.4514(4) 0.4219(5) 0.033(2) Uani 1 1 d . . . . .
O7 O 0.7310(16) 0.5604(6) 0.3806(6) 0.038(3) Uani 1 1 d . . . . .
O8 O 0.3335(17) 0.5919(5) 0.3911(6) 0.038(3) Uani 1 1 d . . . . .
O9 O 1.000000 0.3726(6) 0.250000 0.027(3) Uani 1 2 d S T P . .
O10 O 0.6870(15) 0.4269(5) 0.3111(5) 0.024(2) Uani 1 1 d . . . . .
O11 O 0.8101(14) 0.4753(5) 0.1874(5) 0.028(2) Uani 1 1 d . . . . .
O12 O 0.500000 0.5520(6) 0.250000 0.029(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
Na1 Rb2 4.6168(18) 2_764 ?
Na1 Rb2 4.6168(18) . ?
Na1 Mo3 3.299(6) 5 ?
Na1 P1 3.420(6) 3_755 ?
Na1 P1 3.420(6) . ?
Na1 O1 2.587(11) 7_655 ?
Na1 O1 2.587(11) 5 ?
Na1 O7 2.902(11) 3_755 ?
Na1 O7 2.902(11) . ?
Na1 O11 2.490(10) 3_755 ?
Na1 O11 2.490(10) . ?
Rb1 Mo1 3.8628(19) . ?
Rb1 Mo1 3.8207(19) 8_456 ?
Rb1 Mo2 3.8991(18) 4_566 ?
Rb1 O1 2.804(10) 8_556 ?
Rb1 O2 2.861(9) 8_456 ?
Rb1 O3 3.264(9) 6_655 ?
Rb1 O4 2.818(10) . ?
Rb1 O4 2.929(11) 8_556 ?
Rb1 O5 3.497(11) . ?
Rb1 O5 3.031(11) 8_456 ?
Rb1 O7 3.509(11) 4_566 ?
Rb1 O8 2.994(10) 4_566 ?
Rb2 Mo2 3.932(2) 4_666 ?
Rb2 Mo2 3.932(2) 1_655 ?
Rb2 O5 3.191(10) 4_566 ?
Rb2 O5 3.191(11) . ?
Rb2 O6 3.163(10) 4_666 ?
Rb2 O6 3.163(10) 1_655 ?
Rb2 O7 3.143(11) . ?
Rb2 O7 3.144(11) 4_566 ?
Rb2 O8 3.180(11) 4_666 ?
Rb2 O8 3.180(11) 1_655 ?
Rb2 O11 3.453(10) 2_765 ?
Rb2 O11 3.453(10) 3_755 ?
Mo1 O2 1.921(10) . ?
Mo1 O3 2.347(9) 3_655 ?
Mo1 O4 1.686(10) . ?
Mo1 O5 1.699(10) . ?
Mo1 O6 1.912(8) . ?
Mo1 O10 2.244(9) . ?
Mo2 O6 1.898(9) . ?
Mo2 O7 1.681(10) . ?
Mo2 O8 1.686(10) . ?
Mo2 O10 2.423(9) . ?
Mo2 O11 2.378(9) 3_655 ?
Mo2 O12 1.894(3) . ?
Mo3 O1 1.689(10) 3_655 ?
Mo3 O1 1.689(10) . ?
Mo3 O2 1.921(9) . ?
Mo3 O2 1.921(9) 3_655 ?
Mo3 O3 2.333(9) 3_655 ?
Mo3 O3 2.333(9) . ?
P1 O3 1.509(9) . ?
P1 O9 1.595(6) . ?
P1 O10 1.526(9) . ?
P1 O11 1.500(10) . ?

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
Rb2 Na1 Rb2 144.74(13) 2_764 . ?
Mo3 Na1 Rb2 107.63(7) 5 . ?
Mo3 Na1 Rb2 107.63(7) 5 2_764 ?
Mo3 Na1 P1 154.99(7) 5 . ?
Mo3 Na1 P1 154.99(7) 5 3_755 ?
P1 Na1 Rb2 80.18(9) . . ?
P1 Na1 Rb2 80.18(9) 3_755 2_764 ?
P1 Na1 Rb2 67.76(8) 3_755 . ?
P1 Na1 Rb2 67.76(8) . 2_764 ?
P1 Na1 P1 50.02(14) . 3_755 ?
O1 Na1 Rb2 92.6(2) 7_655 2_764 ?
O1 Na1 Rb2 92.6(2) 5 . ?
O1 Na1 Rb2 118.6(2) 7_655 . ?
O1 Na1 Rb2 118.6(2) 5 2_764 ?
O1 Na1 Mo3 30.4(2) 7_655 5 ?
O1 Na1 Mo3 30.4(2) 5 5 ?
O1 Na1 P1 128.5(2) 7_655 3_755 ?
O1 Na1 P1 160.3(2) 5 3_755 ?
O1 Na1 P1 160.3(2) 7_655 . ?
O1 Na1 P1 128.5(2) 5 . ?
O1 Na1 O1 60.8(5) 7_655 5 ?
O1 Na1 O7 123.3(3) 7_655 . ?
O1 Na1 O7 67.3(3) 5 . ?
O1 Na1 O7 123.3(3) 5 3_755 ?
O1 Na1 O7 67.3(3) 7_655 3_755 ?
O7 Na1 Rb2 42.2(2) . . ?
O7 Na1 Rb2 133.2(2) 3_755 . ?
O7 Na1 Rb2 133.2(2) . 2_764 ?
O7 Na1 Rb2 42.2(2) 3_755 2_764 ?
O7 Na1 Mo3 95.4(2) . 5 ?
O7 Na1 Mo3 95.4(2) 3_755 5 ?
O7 Na1 P1 95.8(3) . 3_755 ?
O7 Na1 P1 74.2(2) 3_755 3_755 ?
O7 Na1 P1 95.8(3) 3_755 . ?
O7 Na1 P1 74.2(2) . . ?
O7 Na1 O7 169.2(5) . 3_755 ?
O11 Na1 Rb2 47.3(2) 3_755 . ?
O11 Na1 Rb2 103.1(2) . . ?
O11 Na1 Rb2 47.3(2) . 2_764 ?
O11 Na1 Rb2 103.1(2) 3_755 2_764 ?
O11 Na1 Mo3 138.3(2) 3_755 5 ?
O11 Na1 Mo3 138.3(2) . 5 ?
O11 Na1 P1 64.3(3) . 3_755 ?
O11 Na1 P1 23.3(2) . . ?
O11 Na1 P1 23.3(2) 3_755 3_755 ?
O11 Na1 P1 64.3(3) 3_755 . ?
O11 Na1 O1 138.3(3) . 7_655 ?
O11 Na1 O1 138.3(3) 3_755 5 ?
O11 Na1 O1 122.7(3) . 5 ?
O11 Na1 O1 122.7(3) 3_755 7_655 ?
O11 Na1 O7 88.7(3) 3_755 3_755 ?
O11 Na1 O7 83.2(3) . 3_755 ?
O11 Na1 O7 88.7(3) . . ?
O11 Na1 O7 83.2(3) 3_755 . ?
O11 Na1 O11 83.5(5) . 3_755 ?
Mo1 Rb1 Mo1 105.94(5) 8_456 . ?
Mo1 Rb1 Mo2 122.12(5) 8_456 4_566 ?
Mo1 Rb1 Mo2 74.74(3) . 4_566 ?
O1 Rb1 Mo1 117.5(2) 8_556 . ?
O1 Rb1 Mo1 136.4(2) 8_556 8_456 ?
O1 Rb1 Mo2 69.5(2) 8_556 4_566 ?
O1 Rb1 O2 114.3(3) 8_556 8_456 ?
O1 Rb1 O3 56.1(3) 8_556 6_655 ?
O1 Rb1 O4 138.9(3) 8_556 . ?
O1 Rb1 O4 80.8(3) 8_556 8_556 ?
O1 Rb1 O5 92.9(3) 8_556 . ?
O1 Rb1 O5 144.0(3) 8_556 8_456 ?
O1 Rb1 O7 56.5(3) 8_556 4_566 ?
O1 Rb1 O8 91.8(3) 8_556 4_566 ?
O2 Rb1 Mo1 29.16(19) 8_456 8_456 ?
O2 Rb1 Mo1 121.17(18) 8_456 . ?
O2 Rb1 Mo2 99.83(19) 8_456 4_566 ?
O2 Rb1 O3 96.9(2) 8_456 6_655 ?
O2 Rb1 O4 133.4(3) 8_456 8_556 ?
O2 Rb1 O5 54.5(3) 8_456 8_456 ?
O2 Rb1 O5 146.6(3) 8_456 . ?
O2 Rb1 O7 124.6(3) 8_456 4_566 ?
O2 Rb1 O8 82.6(3) 8_456 4_566 ?
O3 Rb1 Mo1 134.67(16) 6_655 . ?
O3 Rb1 Mo1 95.78(16) 6_655 8_456 ?
O3 Rb1 Mo2 125.26(17) 6_655 4_566 ?
O3 Rb1 O5 114.8(2) 6_655 . ?
O3 Rb1 O7 110.5(2) 6_655 4_566 ?
O4 Rb1 Mo1 23.1(2) . . ?
O4 Rb1 Mo1 110.3(2) 8_556 8_456 ?
O4 Rb1 Mo1 83.6(2) . 8_456 ?
O4 Rb1 Mo1 81.48(19) 8_556 . ?
O4 Rb1 Mo2 81.3(2) . 4_566 ?
O4 Rb1 Mo2 126.4(2) 8_556 4_566 ?
O4 Rb1 O2 98.4(3) . 8_456 ?
O4 Rb1 O3 146.1(3) . 6_655 ?
O4 Rb1 O3 53.5(2) 8_556 6_655 ?
O4 Rb1 O4 94.8(2) . 8_556 ?
O4 Rb1 O5 49.2(3) . . ?
O4 Rb1 O5 75.5(3) . 8_456 ?
O4 Rb1 O5 86.7(3) 8_556 8_456 ?
O4 Rb1 O5 67.1(3) 8_556 . ?
O4 Rb1 O7 101.0(3) 8_556 4_566 ?
O4 Rb1 O7 84.8(3) . 4_566 ?
O4 Rb1 O8 67.5(3) . 4_566 ?
O4 Rb1 O8 143.1(3) 8_556 4_566 ?
O5 Rb1 Mo1 93.5(2) 8_456 . ?
O5 Rb1 Mo1 26.09(17) . . ?
O5 Rb1 Mo1 25.54(19) 8_456 8_456 ?
O5 Rb1 Mo1 130.59(17) . 8_456 ?
O5 Rb1 Mo2 141.2(2) 8_456 4_566 ?
O5 Rb1 Mo2 70.83(17) . 4_566 ?
O5 Rb1 O3 89.5(3) 8_456 6_655 ?
O5 Rb1 O5 113.09(17) 8_456 . ?
O5 Rb1 O7 159.5(3) 8_456 4_566 ?
O5 Rb1 O7 54.8(2) . 4_566 ?
O7 Rb1 Mo1 69.17(18) 4_566 . ?
O7 Rb1 Mo1 147.37(17) 4_566 8_456 ?
O7 Rb1 Mo2 25.54(17) 4_566 4_566 ?
O8 Rb1 Mo1 70.0(2) 4_566 . ?
O8 Rb1 Mo1 99.9(2) 4_566 8_456 ?
O8 Rb1 Mo2 24.0(2) 4_566 4_566 ?
O8 Rb1 O3 144.7(3) 4_566 6_655 ?
O8 Rb1 O5 117.1(3) 4_566 8_456 ?
O8 Rb1 O5 77.4(3) 4_566 . ?
O8 Rb1 O7 47.6(3) 4_566 4_566 ?
Mo2 Rb2 Mo2 82.85(6) 4_666 1_655 ?
O5 Rb2 Mo2 115.40(18) 4_566 1_655 ?
O5 Rb2 Mo2 115.40(18) . 4_666 ?
O5 Rb2 Mo2 111.4(2) . 1_655 ?
O5 Rb2 Mo2 111.4(2) 4_566 4_666 ?
O5 Rb2 O5 116.1(4) . 4_566 ?
O5 Rb2 O11 79.2(2) . 3_755 ?
O5 Rb2 O11 118.4(2) 4_566 3_755 ?
O5 Rb2 O11 118.4(2) . 2_765 ?
O5 Rb2 O11 79.2(2) 4_566 2_765 ?
O6 Rb2 Mo2 28.48(15) 4_666 4_666 ?
O6 Rb2 Mo2 66.28(17) 4_666 1_655 ?
O6 Rb2 Mo2 66.28(17) 1_655 4_666 ?
O6 Rb2 Mo2 28.48(15) 1_655 1_655 ?
O6 Rb2 O5 96.7(3) 4_666 4_566 ?
O6 Rb2 O5 141.9(2) 1_655 4_566 ?
O6 Rb2 O5 96.7(3) 1_655 . ?
O6 Rb2 O5 141.9(2) 4_666 . ?
O6 Rb2 O6 62.6(3) 4_666 1_655 ?
O6 Rb2 O8 66.5(3) 1_655 4_666 ?
O6 Rb2 O8 52.3(2) 1_655 1_655 ?
O6 Rb2 O8 52.3(2) 4_666 4_666 ?
O6 Rb2 O8 66.5(3) 4_666 1_655 ?
O6 Rb2 O11 46.8(2) 4_666 2_765 ?
O6 Rb2 O11 102.6(2) 4_666 3_755 ?
O6 Rb2 O11 102.6(2) 1_655 2_765 ?
O6 Rb2 O11 46.8(2) 1_655 3_755 ?
O7 Rb2 Mo2 90.4(2) . 1_655 ?
O7 Rb2 Mo2 166.53(19) . 4_666 ?
O7 Rb2 Mo2 166.53(19) 4_566 1_655 ?
O7 Rb2 Mo2 90.4(2) 4_566 4_666 ?
O7 Rb2 O5 61.2(3) . 4_566 ?
O7 Rb2 O5 61.2(3) 4_566 . ?
O7 Rb2 O5 77.9(3) . . ?
O7 Rb2 O5 77.9(3) 4_566 4_566 ?
O7 Rb2 O6 138.2(2) 4_566 1_655 ?
O7 Rb2 O6 138.2(2) . 4_666 ?
O7 Rb2 O6 111.8(3) 4_566 4_666 ?
O7 Rb2 O6 111.8(3) . 1_655 ?
O7 Rb2 O7 98.4(4) . 4_566 ?
O7 Rb2 O8 78.0(3) 4_566 4_666 ?
O7 Rb2 O8 168.4(2) 4_566 1_655 ?
O7 Rb2 O8 168.4(2) . 4_666 ?
O7 Rb2 O8 78.0(3) . 1_655 ?
O7 Rb2 O11 140.0(2) . 2_765 ?
O7 Rb2 O11 140.0(2) 4_566 3_755 ?
O7 Rb2 O11 65.8(3) 4_566 2_765 ?
O7 Rb2 O11 65.8(3) . 3_755 ?
O8 Rb2 Mo2 91.3(2) 4_666 1_655 ?
O8 Rb2 Mo2 91.3(2) 1_655 4_666 ?
O8 Rb2 Mo2 24.64(18) 1_655 1_655 ?
O8 Rb2 Mo2 24.64(18) 4_666 4_666 ?
O8 Rb2 O5 90.8(2) 4_666 . ?
O8 Rb2 O5 90.8(2) 1_655 4_566 ?
O8 Rb2 O5 127.7(3) 4_666 4_566 ?
O8 Rb2 O5 127.7(3) 1_655 . ?
O8 Rb2 O8 107.6(4) 4_666 1_655 ?
O8 Rb2 O11 48.5(2) 1_655 3_755 ?
O8 Rb2 O11 48.5(2) 4_666 2_765 ?
O8 Rb2 O11 109.9(3) 4_666 3_755 ?
O8 Rb2 O11 109.9(3) 1_655 2_765 ?
O11 Rb2 Mo2 36.86(15) 3_755 1_655 ?
O11 Rb2 Mo2 113.04(16) 3_755 4_666 ?
O11 Rb2 Mo2 36.86(15) 2_765 4_666 ?
O11 Rb2 Mo2 113.04(16) 2_765 1_655 ?
O11 Rb2 O11 148.4(3) 2_765 3_755 ?
Rb1 Mo1 Rb1 78.73(4) 8_556 . ?
Rb1 Mo1 Rb1 75.02(4) . 8_456 ?
Rb1 Mo1 Rb1 110.23(4) 8_556 8_456 ?
O2 Mo1 Rb1 80.6(3) . 8_456 ?
O2 Mo1 Rb1 104.7(3) . . ?
O2 Mo1 Rb1 46.5(3) . 8_556 ?
O2 Mo1 O3 71.5(3) . 3_655 ?
O2 Mo1 O10 81.3(3) . . ?
O3 Mo1 Rb1 127.0(2) 3_655 . ?
O3 Mo1 Rb1 52.0(2) 3_655 8_456 ?
O3 Mo1 Rb1 118.0(2) 3_655 8_556 ?
O4 Mo1 Rb1 104.1(4) . 8_556 ?
O4 Mo1 Rb1 41.1(4) . . ?
O4 Mo1 Rb1 35.5(4) . 8_456 ?
O4 Mo1 O2 100.0(4) . . ?
O4 Mo1 O3 86.5(4) . 3_655 ?
O4 Mo1 O5 105.9(5) . . ?
O4 Mo1 O6 98.3(5) . . ?
O4 Mo1 O10 158.7(4) . . ?
O5 Mo1 Rb1 50.3(3) . 8_556 ?
O5 Mo1 Rb1 64.9(4) . . ?
O5 Mo1 Rb1 137.6(4) . 8_456 ?
O5 Mo1 O2 96.3(4) . . ?
O5 Mo1 O3 164.2(4) . 3_655 ?
O5 Mo1 O6 101.5(4) . . ?
O5 Mo1 O10 95.0(4) . . ?
O6 Mo1 Rb1 101.5(3) . 8_456 ?
O6 Mo1 Rb1 104.9(3) . . ?
O6 Mo1 Rb1 147.8(3) . 8_556 ?
O6 Mo1 O2 149.8(4) . . ?
O6 Mo1 O3 85.9(4) . 3_655 ?
O6 Mo1 O10 73.0(4) . . ?
O10 Mo1 Rb1 159.3(3) . . ?
O10 Mo1 Rb1 92.3(2) . 8_556 ?
O10 Mo1 Rb1 125.7(3) . 8_456 ?
O10 Mo1 O3 73.7(3) . 3_655 ?
Rb1 Mo2 Rb2 94.02(3) 4_566 1_455 ?
O6 Mo2 Rb1 130.7(3) . 4_566 ?
O6 Mo2 Rb2 52.6(3) . 1_455 ?
O6 Mo2 O10 69.1(3) . . ?
O6 Mo2 O11 75.4(4) . 3_655 ?
O7 Mo2 Rb1 64.1(4) . 4_566 ?
O7 Mo2 Rb2 123.9(4) . 1_455 ?
O7 Mo2 O6 102.3(5) . . ?
O7 Mo2 O8 104.7(5) . . ?
O7 Mo2 O10 83.4(4) . . ?
O7 Mo2 O11 172.4(4) . 3_655 ?
O7 Mo2 O12 100.4(4) . . ?
O8 Mo2 Rb1 46.3(4) . 4_566 ?
O8 Mo2 Rb2 51.9(4) . 1_455 ?
O8 Mo2 O6 102.5(5) . . ?
O8 Mo2 O10 169.7(4) . . ?
O8 Mo2 O11 82.8(4) . 3_655 ?
O8 Mo2 O12 103.1(4) . . ?
O10 Mo2 Rb1 143.8(2) . 4_566 ?
O10 Mo2 Rb2 118.3(2) . 1_455 ?
O11 Mo2 Rb1 122.9(2) 3_655 4_566 ?
O11 Mo2 Rb2 60.6(2) 3_655 1_455 ?
O11 Mo2 O10 89.1(3) 3_655 . ?
O12 Mo2 Rb1 88.9(3) . 4_566 ?
O12 Mo2 Rb2 131.92(6) . 1_455 ?
O12 Mo2 O6 140.0(4) . . ?
O12 Mo2 O10 81.3(3) . . ?
O12 Mo2 O11 77.8(3) . 3_655 ?
Na1 Mo3 Rb1 85.55(3) 5_445 8_456 ?
Na1 Mo3 Rb1 85.55(3) 5_445 6_654 ?
Rb1 Mo3 Rb1 171.09(6) 6_654 8_456 ?
O1 Mo3 Na1 50.8(3) 3_655 5_445 ?
O1 Mo3 Na1 50.8(3) . 5_445 ?
O1 Mo3 Rb1 135.3(3) . 6_654 ?
O1 Mo3 Rb1 135.3(3) 3_655 8_456 ?
O1 Mo3 Rb1 36.0(3) 3_655 6_654 ?
O1 Mo3 Rb1 36.0(3) . 8_456 ?
O1 Mo3 O1 101.6(7) 3_655 . ?
O1 Mo3 O2 98.6(4) . 3_655 ?
O1 Mo3 O2 103.3(4) 3_655 3_655 ?
O1 Mo3 O2 98.6(4) 3_655 . ?
O1 Mo3 O2 103.3(4) . . ?
O1 Mo3 O3 166.5(4) . . ?
O1 Mo3 O3 90.1(4) 3_655 . ?
O1 Mo3 O3 166.5(4) 3_655 3_655 ?
O1 Mo3 O3 90.1(4) . 3_655 ?
O2 Mo3 Na1 107.5(3) . 5_445 ?
O2 Mo3 Na1 107.5(3) 3_655 5_445 ?
O2 Mo3 Rb1 98.1(3) . 6_654 ?
O2 Mo3 Rb1 84.6(3) . 8_456 ?
O2 Mo3 Rb1 84.6(3) 3_655 6_654 ?
O2 Mo3 Rb1 98.1(3) 3_655 8_456 ?
O2 Mo3 O2 145.1(5) 3_655 . ?
O2 Mo3 O3 81.3(3) 3_655 3_655 ?
O2 Mo3 O3 71.8(3) . 3_655 ?
O2 Mo3 O3 71.8(3) 3_655 . ?
O2 Mo3 O3 81.3(3) . . ?
O3 Mo3 Na1 140.4(2) 3_655 5_445 ?
O3 Mo3 Na1 140.4(2) . 5_445 ?
O3 Mo3 Rb1 134.0(2) 3_655 6_654 ?
O3 Mo3 Rb1 54.9(2) . 6_654 ?
O3 Mo3 Rb1 54.9(2) 3_655 8_456 ?
O3 Mo3 Rb1 134.0(2) . 8_456 ?
O3 Mo3 O3 79.1(5) 3_655 . ?
O3 P1 Na1 155.4(4) . . ?
O3 P1 O9 101.5(5) . . ?
O3 P1 O10 112.4(5) . . ?
O9 P1 Na1 89.9(4) . . ?
O10 P1 Na1 84.1(4) . . ?
O10 P1 O9 107.7(4) . . ?
O11 P1 Na1 41.0(4) . . ?
O11 P1 O3 114.5(5) . . ?
O11 P1 O9 109.8(5) . . ?
O11 P1 O10 110.5(6) . . ?
Na1 O1 Rb1 134.7(4) 5_445 8_456 ?
Mo3 O1 Na1 98.8(5) . 5_445 ?
Mo3 O1 Rb1 123.3(5) . 8_456 ?
Mo1 O2 Rb1 104.3(4) . 8_556 ?
Mo3 O2 Rb1 131.9(4) . 8_556 ?
Mo3 O2 Mo1 123.7(5) . . ?
Mo1 O3 Rb1 93.4(3) 3_655 6_654 ?
Mo3 O3 Rb1 89.3(3) . 6_654 ?
Mo3 O3 Mo1 92.8(3) . 3_655 ?
P1 O3 Rb1 115.4(5) . 6_654 ?
P1 O3 Mo1 128.2(5) . 3_655 ?
P1 O3 Mo3 127.2(5) . . ?
Rb1 O4 Rb1 116.0(3) . 8_456 ?
Mo1 O4 Rb1 115.8(5) . . ?
Mo1 O4 Rb1 125.0(5) . 8_456 ?
Rb1 O5 Rb1 96.3(3) 8_556 . ?
Rb1 O5 Rb2 114.8(3) 8_556 . ?
Rb2 O5 Rb1 119.5(3) . . ?
Mo1 O5 Rb1 104.2(4) . 8_556 ?
Mo1 O5 Rb1 89.1(4) . . ?
Mo1 O5 Rb2 126.7(5) . . ?
Mo1 O6 Rb2 130.0(4) . 1_455 ?
Mo2 O6 Rb2 98.9(3) . 1_455 ?
Mo2 O6 Mo1 125.0(5) . . ?
Na1 O7 Rb1 101.4(3) . 4_566 ?
Na1 O7 Rb2 99.5(3) . . ?
Rb2 O7 Rb1 120.6(3) . 4_566 ?
Mo2 O7 Na1 111.8(5) . . ?
Mo2 O7 Rb1 90.3(4) . 4_566 ?
Mo2 O7 Rb2 130.5(5) . . ?
Rb1 O8 Rb2 136.1(3) 4_566 1_455 ?
Mo2 O8 Rb1 109.7(5) . 4_566 ?
Mo2 O8 Rb2 103.5(4) . 1_455 ?
P1 O9 P1 130.1(8) . 3_755 ?
Mo1 O10 Mo2 92.7(3) . . ?
P1 O10 Mo1 131.8(5) . . ?
P1 O10 Mo2 132.1(5) . . ?
Na1 O11 Rb2 100.7(3) . 2_764 ?
Mo2 O11 Na1 103.7(4) 3_655 . ?
Mo2 O11 Rb2 82.6(3) 3_655 2_764 ?
P1 O11 Na1 115.8(5) . . ?
P1 O11 Rb2 131.7(5) . 2_764 ?
P1 O11 Mo2 115.5(5) . 3_655 ?
Mo2 O12 Mo2 155.7(6) . 3_655 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Na1 Mo3 O1 Rb1 162.5(7) 5_445 . . 8_456 ?
Na1 P1 O3 Rb1 89.1(10) . . . 6_654 ?
Na1 P1 O3 Mo1 -28.2(14) . . . 3_655 ?
Na1 P1 O3 Mo3 -160.7(5) . . . . ?
Na1 P1 O9 P1 0.002(0) . . . 3_755 ?
Na1 P1 O10 Mo1 -156.0(7) . . . . ?
Na1 P1 O10 Mo2 50.7(6) . . . . ?
Na1 P1 O11 Rb2 135.0(9) . . . 2_764 ?
Na1 P1 O11 Mo2 -121.5(8) . . . 3_655 ?
Rb1 Mo1 O4 Rb1 158.7(9) 8_456 . . . ?
Rb1 Mo1 O4 Rb1 -158.7(9) . . . 8_456 ?
Rb1 Mo1 O4 Rb1 -105.2(5) 8_556 . . 8_456 ?
Rb1 Mo1 O4 Rb1 53.5(5) 8_556 . . . ?
Rb1 Mo1 O5 Rb1 96.3(4) . . . 8_556 ?
Rb1 Mo1 O5 Rb1 -96.3(4) 8_556 . . . ?
Rb1 Mo1 O5 Rb1 75.9(6) 8_456 . . 8_556 ?
Rb1 Mo1 O5 Rb1 -20.4(5) 8_456 . . . ?
Rb1 Mo1 O5 Rb2 -127.0(6) . . . . ?
Rb1 Mo1 O5 Rb2 136.7(8) 8_556 . . . ?
Rb1 Mo1 O5 Rb2 -147.4(3) 8_456 . . . ?
Rb1 Mo2 O6 Rb2 57.2(4) 4_566 . . 1_455 ?
Rb1 Mo2 O6 Mo1 -148.1(3) 4_566 . . . ?
Rb1 Mo2 O7 Na1 -102.4(5) 4_566 . . . ?
Rb1 Mo2 O7 Rb2 132.3(7) 4_566 . . . ?
Rb1 Mo2 O8 Rb2 -150.8(6) 4_566 . . 1_455 ?
Rb1 Mo2 O12 Mo2 175.94(4) 4_566 . . 3_655 ?
Rb1 Mo3 O1 Na1 -162.5(7) 8_456 . . 5_445 ?
Rb1 Mo3 O1 Na1 14.6(6) 6_654 . . 5_445 ?
Rb1 Mo3 O1 Rb1 177.05(13) 6_654 . . 8_456 ?
Rb2 Mo2 O6 Mo1 154.7(7) 1_455 . . . ?
Rb2 Mo2 O7 Na1 -179.01(17) 1_455 . . . ?
Rb2 Mo2 O7 Rb1 -76.6(3) 1_455 . . 4_566 ?
Rb2 Mo2 O7 Rb2 55.8(7) 1_455 . . . ?
Rb2 Mo2 O8 Rb1 150.8(6) 1_455 . . 4_566 ?
Rb2 Mo2 O12 Mo2 -89.6(3) 1_455 . . 3_655 ?
O1 Mo3 O1 Na1 -0.001(0) 3_655 . . 5_445 ?
O1 Mo3 O1 Rb1 162.5(7) 3_655 . . 8_456 ?
O2 Mo1 O4 Rb1 101.0(5) . . . . ?
O2 Mo1 O4 Rb1 -57.7(6) . . . 8_456 ?
O2 Mo1 O5 Rb1 -7.0(4) . . . 8_556 ?
O2 Mo1 O5 Rb1 -103.3(3) . . . . ?
O2 Mo1 O5 Rb2 129.6(5) . . . . ?
O2 Mo3 O1 Na1 -101.8(4) . . . 5_445 ?
O2 Mo3 O1 Na1 105.6(4) 3_655 . . 5_445 ?
O2 Mo3 O1 Rb1 60.7(6) . . . 8_456 ?
O2 Mo3 O1 Rb1 -91.9(6) 3_655 . . 8_456 ?
O3 Mo1 O4 Rb1 12.8(5) 3_655 . . 8_456 ?
O3 Mo1 O4 Rb1 171.4(5) 3_655 . . . ?
O3 Mo1 O5 Rb1 -141.8(15) 3_655 . . . ?
O3 Mo1 O5 Rb1 -45.5(18) 3_655 . . 8_556 ?
O3 Mo1 O5 Rb2 91.2(16) 3_655 . . . ?
O3 Mo3 O1 Na1 -173.2(4) 3_655 . . 5_445 ?
O3 Mo3 O1 Na1 149.5(16) . . . 5_445 ?
O3 Mo3 O1 Rb1 -48(2) . . . 8_456 ?
O3 Mo3 O1 Rb1 -10.7(5) 3_655 . . 8_456 ?
O3 P1 O9 P1 158.1(4) . . . 3_755 ?
O3 P1 O10 Mo1 43.0(9) . . . . ?
O3 P1 O10 Mo2 -110.4(7) . . . . ?
O3 P1 O11 Na1 -178.8(5) . . . . ?
O3 P1 O11 Rb2 -43.8(8) . . . 2_764 ?
O3 P1 O11 Mo2 59.8(7) . . . 3_655 ?
O4 Mo1 O5 Rb1 95.3(5) . . . 8_556 ?
O4 Mo1 O5 Rb1 -1.0(5) . . . . ?
O4 Mo1 O5 Rb2 -128.0(6) . . . . ?
O5 Mo1 O4 Rb1 -157.3(5) . . . 8_456 ?
O5 Mo1 O4 Rb1 1.3(6) . . . . ?
O6 Mo1 O4 Rb1 98.2(6) . . . 8_456 ?
O6 Mo1 O4 Rb1 -103.2(5) . . . . ?
O6 Mo1 O5 Rb1 101.2(3) . . . . ?
O6 Mo1 O5 Rb1 -162.5(4) . . . 8_556 ?
O6 Mo1 O5 Rb2 -25.8(6) . . . . ?
O6 Mo2 O7 Na1 128.0(4) . . . . ?
O6 Mo2 O7 Rb1 -129.6(3) . . . 4_566 ?
O6 Mo2 O7 Rb2 2.8(7) . . . . ?
O6 Mo2 O8 Rb1 135.4(4) . . . 4_566 ?
O6 Mo2 O8 Rb2 -15.3(5) . . . 1_455 ?
O6 Mo2 O12 Mo2 -11.1(5) . . . 3_655 ?
O7 Mo2 O6 Rb2 123.5(4) . . . 1_455 ?
O7 Mo2 O6 Mo1 -81.8(7) . . . . ?
O7 Mo2 O8 Rb1 29.0(6) . . . 4_566 ?
O7 Mo2 O8 Rb2 -121.8(5) . . . 1_455 ?
O7 Mo2 O12 Mo2 112.5(4) . . . 3_655 ?
O8 Mo2 O6 Rb2 15.2(5) . . . 1_455 ?
O8 Mo2 O6 Mo1 169.8(6) . . . . ?
O8 Mo2 O7 Na1 -125.3(5) . . . . ?
O8 Mo2 O7 Rb1 -22.9(4) . . . 4_566 ?
O8 Mo2 O7 Rb2 109.4(7) . . . . ?
O8 Mo2 O12 Mo2 -139.6(4) . . . 3_655 ?
O9 P1 O3 Rb1 -27.1(5) . . . 6_654 ?
O9 P1 O3 Mo1 -144.4(5) . . . 3_655 ?
O9 P1 O3 Mo3 83.1(6) . . . . ?
O9 P1 O10 Mo1 -67.9(9) . . . . ?
O9 P1 O10 Mo2 138.7(7) . . . . ?
O9 P1 O11 Na1 -65.5(6) . . . . ?
O9 P1 O11 Rb2 69.5(7) . . . 2_764 ?
O9 P1 O11 Mo2 173.1(4) . . . 3_655 ?
O10 Mo1 O4 Rb1 -167.4(8) . . . . ?
O10 Mo1 O4 Rb1 34.0(14) . . . 8_456 ?
O10 Mo1 O5 Rb1 -88.8(4) . . . 8_556 ?
O10 Mo1 O5 Rb1 174.9(3) . . . . ?
O10 Mo1 O5 Rb2 47.9(6) . . . . ?
O10 Mo2 O6 Rb2 -158.5(4) . . . 1_455 ?
O10 Mo2 O6 Mo1 -3.9(5) . . . . ?
O10 Mo2 O7 Na1 61.1(4) . . . . ?
O10 Mo2 O7 Rb1 163.6(3) . . . 4_566 ?
O10 Mo2 O7 Rb2 -64.1(6) . . . . ?
O10 Mo2 O8 Rb1 170(2) . . . 4_566 ?
O10 Mo2 O8 Rb2 19(3) . . . 1_455 ?
O10 Mo2 O12 Mo2 30.9(2) . . . 3_655 ?
O10 P1 O3 Rb1 -141.8(5) . . . 6_654 ?
O10 P1 O3 Mo1 100.9(7) . . . 3_655 ?
O10 P1 O3 Mo3 -31.6(8) . . . . ?
O10 P1 O9 P1 -83.7(4) . . . 3_755 ?
O10 P1 O11 Na1 53.2(7) . . . . ?
O10 P1 O11 Rb2 -171.8(5) . . . 2_764 ?
O10 P1 O11 Mo2 -68.3(7) . . . 3_655 ?
O11 Mo2 O6 Rb2 -63.9(3) 3_655 . . 1_455 ?
O11 Mo2 O6 Mo1 90.8(6) 3_655 . . . ?
O11 Mo2 O8 Rb1 -151.3(5) 3_655 . . 4_566 ?
O11 Mo2 O8 Rb2 57.9(4) 3_655 . . 1_455 ?
O11 Mo2 O12 Mo2 -60.0(2) 3_655 . . 3_655 ?
O11 P1 O3 Rb1 91.1(6) . . . 6_654 ?
O11 P1 O3 Mo1 -26.3(9) . . . 3_655 ?
O11 P1 O3 Mo3 -158.7(6) . . . . ?
O11 P1 O9 P1 36.6(4) . . . 3_755 ?
O11 P1 O10 Mo1 172.2(6) . . . . ?
O11 P1 O10 Mo2 18.8(9) . . . . ?
O12 Mo2 O6 Rb2 -113.5(3) . . . 1_455 ?
O12 Mo2 O6 Mo1 41.2(9) . . . . ?
O12 Mo2 O7 Na1 -18.7(5) . . . . ?
O12 Mo2 O7 Rb1 83.7(4) . . . 4_566 ?
O12 Mo2 O7 Rb2 -144.0(6) . . . . ?
O12 Mo2 O8 Rb1 -75.6(4) . . . 4_566 ?
O12 Mo2 O8 Rb2 133.6(3) . . . 1_455 ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.97(2)
2 0.03(2)

####################################################################### 
# 
# 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_aaa
_database_code_depnum_ccdc_archive 'CCDC 2392369'
loop_
_audit_author_name
_audit_author_address
'Zhixia Gao'
;Xinjiang Normal University
China
;
_audit_update_record             
;
2024-10-19 deposited with the CCDC.	2025-02-17 downloaded from the CCDC.
;
_audit_creation_date             2024-10-10
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'K2 Mo5 O22 P2 Rb2'
_chemical_formula_sum            'K2 Mo5 O22 P2 Rb2'
_chemical_formula_weight         1142.78
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   6.4888(6)
_cell_length_b                   19.2240(14)
_cell_length_c                   17.3168(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2160.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2258
_cell_measurement_temperature    173.0
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.932
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5669
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1027 before and 0.0800 after correction.
The Ratio of minimum to maximum transmission is 0.7603.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.514
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1165
_diffrn_reflns_av_unetI/netI     0.0669
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16913
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.552
_diffrn_reflns_theta_min         2.119
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.744
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                2298
_reflns_number_total             2499
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.636
_refine_diff_density_min         -0.600
_refine_diff_density_rms         0.162
_refine_ls_abs_structure_details 
;
 Flack x determined using 890 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.012(14)
_refine_ls_extinction_coef       0.00062(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         2499
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0339
_refine_ls_restrained_S_all      1.004
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
_refine_ls_wR_factor_ref         0.0736
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{Rb2, K2}
2. Uiso/Uaniso restraints and constraints
Uanis(Rb2) = Uanis(K2)
3. Others
 Fixed Sof: Rb2(0.5) K2(0.5)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Mo2 Mo 0.49993(14) 0.52640(4) 0.35729(5) 0.0189(2) Uani 1 1 d . . . . .
Mo1 Mo 0.500000 0.25737(5) 0.250000 0.0173(2) Uani 1 2 d S T P . .
Mo03 Mo 0.42847(13) 0.35797(4) 0.40778(5) 0.0204(2) Uani 1 1 d . . . . .
Rb1 Rb -0.0446(3) 0.500000 0.500000 0.0472(5) Uani 1 2 d S T P A .
Rb2 Rb 0.4630(2) 0.26399(8) 0.60172(9) 0.0343(4) Uani 0.5 1 d . . P A 1
K1 K 0.000000 0.57901(14) 0.250000 0.0297(7) Uani 1 2 d S T P . .
P007 P 0.2185(3) 0.40759(12) 0.23317(14) 0.0158(5) Uani 1 1 d . . . . .
O7 O 0.500000 0.5481(4) 0.250000 0.0214(18) Uani 1 2 d S T P . .
O10 O 0.5320(11) 0.4497(3) 0.4261(4) 0.0236(15) Uani 1 1 d . . . . .
O6 O 0.3159(10) 0.4260(3) 0.3113(4) 0.0198(14) Uani 1 1 d . . . . .
O3 O 0.3395(10) 0.2864(4) 0.3366(4) 0.0221(15) Uani 1 1 d . . . . .
O2 O 0.3309(9) 0.3485(3) 0.1925(4) 0.0175(13) Uani 1 1 d . . . . .
O9 O 0.5994(13) 0.3111(4) 0.4617(4) 0.0352(19) Uani 1 1 d . . . . .
O5 O 0.1953(10) 0.4710(3) 0.1840(4) 0.0212(15) Uani 1 1 d . . . . .
O4 O 0.000000 0.3729(4) 0.250000 0.025(2) Uani 1 2 d S T P . .
O1 O 0.3261(11) 0.2022(3) 0.2100(4) 0.0266(17) Uani 1 1 d . . . . .
O12 O 0.2644(12) 0.5571(4) 0.3832(5) 0.0302(17) Uani 1 1 d . . . . .
O11 O 0.6647(12) 0.5873(4) 0.3928(5) 0.0295(17) Uani 1 1 d . . . . .
O8 O 0.2099(13) 0.3581(4) 0.4607(5) 0.038(2) Uani 1 1 d . . . . .
K2 K 0.4630(2) 0.26399(8) 0.60172(9) 0.0343(4) Uani 0.5 1 d . . P A 2


_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
Mo2 Rb1 3.8859(15) 1_655 ?
Mo2 Rb2 4.0985(18) 4_566 ?
Mo2 K1 3.8735(11) 1_655 ?
Mo2 K1 3.8727(12) . ?
Mo2 O7 1.904(2) . ?
Mo2 O10 1.907(6) . ?
Mo2 O6 2.405(7) . ?
Mo2 O5 2.357(7) 3_655 ?
Mo2 O12 1.698(7) . ?
Mo2 O11 1.700(7) . ?
Mo1 Rb2 3.9734(14) 8_556 ?
Mo1 Rb2 3.9734(14) 6_554 ?
Mo1 K1 3.429(3) 5_545 ?
Mo1 O3 1.908(7) 3_655 ?
Mo1 O3 1.908(7) . ?
Mo1 O2 2.295(7) 3_655 ?
Mo1 O2 2.295(7) . ?
Mo1 O1 1.696(7) . ?
Mo1 O1 1.696(7) 3_655 ?
Mo03 Rb2 4.1899(17) 8_556 ?
Mo03 Rb2 3.8270(17) 8_456 ?
Mo03 Rb2 3.8201(17) . ?
Mo03 O10 1.913(6) . ?
Mo03 O6 2.245(7) . ?
Mo03 O3 1.936(7) . ?
Mo03 O2 2.343(6) 3_655 ?
Mo03 O9 1.708(8) . ?
Mo03 O8 1.689(8) . ?
Mo03 K2 3.8201(17) . ?
Rb1 O10 3.182(7) 1_455 ?
Rb1 O10 3.182(7) 4_466 ?
Rb1 O5 3.380(7) 3 ?
Rb1 O5 3.380(7) 2_565 ?
Rb1 O12 3.052(8) 4_566 ?
Rb1 O12 3.052(8) . ?
Rb1 O11 3.134(8) 1_455 ?
Rb1 O11 3.134(8) 4_466 ?
Rb1 O8 3.261(8) . ?
Rb1 O8 3.261(8) 4_566 ?
Rb2 O3 2.837(7) 8_556 ?
Rb2 O2 3.285(6) 6 ?
Rb2 O9 2.975(9) 8_456 ?
Rb2 O9 2.735(8) . ?
Rb2 O1 2.732(7) 6 ?
Rb2 O11 3.146(8) 4_566 ?
Rb2 O8 3.040(8) 8_556 ?
Rb2 O8 3.454(9) . ?
K1 P007 3.599(3) 3 ?
K1 O7 3.2985(16) . ?
K1 O7 3.2985(16) 1_455 ?
K1 O5 2.687(7) . ?
K1 O5 2.687(7) 3 ?
K1 O1 2.712(7) 5_455 ?
K1 O1 2.712(7) 7 ?
K1 O12 2.906(8) 3 ?
K1 O12 2.906(8) . ?
K1 O11 3.297(8) 3_655 ?
K1 O11 3.297(8) 1_455 ?
P007 O6 1.534(7) . ?
P007 O2 1.522(7) . ?
P007 O5 1.495(7) . ?
P007 O4 1.594(4) . ?
O9 K2 2.735(8) . ?

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
Rb1 Mo2 Rb2 93.59(3) 1_655 4_566 ?
K1 Mo2 Rb1 167.50(3) . 1_655 ?
K1 Mo2 Rb1 72.66(2) 1_655 1_655 ?
K1 Mo2 Rb2 82.84(5) 1_655 4_566 ?
K1 Mo2 Rb2 77.14(4) . 4_566 ?
K1 Mo2 K1 113.79(4) . 1_655 ?
O7 Mo2 Rb1 130.46(4) . 1_655 ?
O7 Mo2 Rb2 87.4(2) . 4_566 ?
O7 Mo2 K1 58.33(5) . . ?
O7 Mo2 K1 58.31(5) . 1_655 ?
O7 Mo2 O10 141.1(3) . . ?
O7 Mo2 O6 81.5(3) . . ?
O7 Mo2 O5 78.6(2) . 3_655 ?
O10 Mo2 Rb1 54.5(2) . 1_655 ?
O10 Mo2 Rb2 131.20(18) . 4_566 ?
O10 Mo2 K1 126.4(2) . . ?
O10 Mo2 K1 114.2(2) . 1_655 ?
O10 Mo2 O6 68.9(2) . . ?
O10 Mo2 O5 75.5(3) . 3_655 ?
O6 Mo2 Rb1 118.92(16) . 1_655 ?
O6 Mo2 Rb2 144.80(16) . 4_566 ?
O6 Mo2 K1 68.57(16) . . ?
O6 Mo2 K1 117.81(17) . 1_655 ?
O5 Mo2 Rb1 59.73(17) 3_655 1_655 ?
O5 Mo2 Rb2 123.06(16) 3_655 4_566 ?
O5 Mo2 K1 132.47(17) 3_655 . ?
O5 Mo2 K1 43.07(17) 3_655 1_655 ?
O5 Mo2 O6 87.4(2) 3_655 . ?
O12 Mo2 Rb1 124.1(3) . 1_655 ?
O12 Mo2 Rb2 63.9(3) . 4_566 ?
O12 Mo2 K1 44.2(3) . . ?
O12 Mo2 K1 142.2(3) . 1_655 ?
O12 Mo2 O7 100.5(3) . . ?
O12 Mo2 O10 101.6(4) . . ?
O12 Mo2 O6 85.4(3) . . ?
O12 Mo2 O5 172.7(3) . 3_655 ?
O12 Mo2 O11 103.4(4) . . ?
O11 Mo2 Rb1 51.8(3) . 1_655 ?
O11 Mo2 Rb2 45.4(3) . 4_566 ?
O11 Mo2 K1 121.4(3) . . ?
O11 Mo2 K1 57.8(3) . 1_655 ?
O11 Mo2 O7 101.7(3) . . ?
O11 Mo2 O10 103.8(3) . . ?
O11 Mo2 O6 169.8(3) . . ?
O11 Mo2 O5 83.8(3) . 3_655 ?
Rb2 Mo1 Rb2 168.13(5) 6_554 8_556 ?
K1 Mo1 Rb2 84.07(3) 5_545 8_556 ?
K1 Mo1 Rb2 84.07(3) 5_545 6_554 ?
O3 Mo1 Rb2 97.2(2) 3_655 8_556 ?
O3 Mo1 Rb2 86.3(2) . 8_556 ?
O3 Mo1 Rb2 97.2(2) . 6_554 ?
O3 Mo1 Rb2 86.3(2) 3_655 6_554 ?
O3 Mo1 K1 107.0(2) . 5_545 ?
O3 Mo1 K1 107.0(2) 3_655 5_545 ?
O3 Mo1 O3 146.0(4) 3_655 . ?
O3 Mo1 O2 72.4(3) . 3_655 ?
O3 Mo1 O2 81.7(3) . . ?
O3 Mo1 O2 72.4(3) 3_655 . ?
O3 Mo1 O2 81.7(3) 3_655 3_655 ?
O2 Mo1 Rb2 55.74(16) 3_655 8_556 ?
O2 Mo1 Rb2 136.12(16) . 8_556 ?
O2 Mo1 Rb2 136.12(16) 3_655 6_554 ?
O2 Mo1 Rb2 55.74(16) . 6_554 ?
O2 Mo1 K1 139.79(16) 3_655 5_545 ?
O2 Mo1 K1 139.79(16) . 5_545 ?
O2 Mo1 O2 80.4(3) . 3_655 ?
O1 Mo1 Rb2 33.8(2) 3_655 8_556 ?
O1 Mo1 Rb2 33.8(2) . 6_554 ?
O1 Mo1 Rb2 134.6(2) . 8_556 ?
O1 Mo1 Rb2 134.6(2) 3_655 6_554 ?
O1 Mo1 K1 51.3(2) . 5_545 ?
O1 Mo1 K1 51.3(2) 3_655 5_545 ?
O1 Mo1 O3 103.0(3) . 3_655 ?
O1 Mo1 O3 98.1(3) . . ?
O1 Mo1 O3 98.1(3) 3_655 3_655 ?
O1 Mo1 O3 103.0(3) 3_655 . ?
O1 Mo1 O2 89.0(3) . . ?
O1 Mo1 O2 166.6(3) 3_655 . ?
O1 Mo1 O2 89.0(3) 3_655 3_655 ?
O1 Mo1 O2 166.6(3) . 3_655 ?
O1 Mo1 O1 102.6(5) 3_655 . ?
Rb2 Mo03 Rb2 73.82(3) . 8_556 ?
Rb2 Mo03 Rb2 107.99(4) 8_456 8_556 ?
Rb2 Mo03 Rb2 78.13(4) . 8_456 ?
O10 Mo03 Rb2 103.4(2) . 8_556 ?
O10 Mo03 Rb2 148.1(2) . 8_456 ?
O10 Mo03 Rb2 105.65(19) . . ?
O10 Mo03 O6 72.6(3) . . ?
O10 Mo03 O3 149.9(3) . . ?
O10 Mo03 O2 87.7(3) . 3_655 ?
O10 Mo03 K2 105.65(19) . . ?
O6 Mo03 Rb2 161.68(18) . . ?
O6 Mo03 Rb2 93.92(17) . 8_456 ?
O6 Mo03 Rb2 124.50(18) . 8_556 ?
O6 Mo03 O2 73.1(2) . 3_655 ?
O6 Mo03 K2 161.68(18) . . ?
O3 Mo03 Rb2 104.0(2) . . ?
O3 Mo03 Rb2 45.7(2) . 8_456 ?
O3 Mo03 Rb2 79.9(2) . 8_556 ?
O3 Mo03 O6 81.0(3) . . ?
O3 Mo03 O2 70.8(3) . 3_655 ?
O3 Mo03 K2 104.0(2) . . ?
O2 Mo03 Rb2 116.54(17) 3_655 8_456 ?
O2 Mo03 Rb2 125.18(16) 3_655 . ?
O2 Mo03 Rb2 51.37(16) 3_655 8_556 ?
O2 Mo03 K2 125.18(16) 3_655 . ?
O9 Mo03 Rb2 102.3(3) . 8_456 ?
O9 Mo03 Rb2 39.8(3) . . ?
O9 Mo03 Rb2 35.7(3) . 8_556 ?
O9 Mo03 O10 99.7(3) . . ?
O9 Mo03 O6 157.9(3) . . ?
O9 Mo03 O3 99.6(3) . . ?
O9 Mo03 O2 86.1(3) . 3_655 ?
O9 Mo03 K2 39.8(3) . . ?
O8 Mo03 Rb2 135.8(3) . 8_556 ?
O8 Mo03 Rb2 50.3(3) . 8_456 ?
O8 Mo03 Rb2 64.7(3) . . ?
O8 Mo03 O10 101.8(3) . . ?
O8 Mo03 O6 97.5(3) . . ?
O8 Mo03 O3 95.5(3) . . ?
O8 Mo03 O2 164.2(3) . 3_655 ?
O8 Mo03 O9 104.4(4) . . ?
O8 Mo03 K2 64.7(3) . . ?
Mo2 Rb1 Mo2 80.97(4) 1_455 4_466 ?
O10 Rb1 Mo2 29.19(11) 4_466 4_466 ?
O10 Rb1 Mo2 63.86(12) 4_466 1_455 ?
O10 Rb1 Mo2 29.19(11) 1_455 1_455 ?
O10 Rb1 Mo2 63.86(12) 1_455 4_466 ?
O10 Rb1 O10 60.6(2) 1_455 4_466 ?
O10 Rb1 O5 100.36(17) 1_455 2_565 ?
O10 Rb1 O5 100.36(17) 4_466 3 ?
O10 Rb1 O5 47.21(17) 4_466 2_565 ?
O10 Rb1 O5 47.21(17) 1_455 3 ?
O10 Rb1 O8 95.68(19) 1_455 . ?
O10 Rb1 O8 95.68(19) 4_466 4_566 ?
O10 Rb1 O8 140.86(18) 1_455 4_566 ?
O10 Rb1 O8 140.86(19) 4_466 . ?
O5 Rb1 Mo2 110.99(12) 2_565 1_455 ?
O5 Rb1 Mo2 37.04(11) 2_565 4_466 ?
O5 Rb1 Mo2 110.99(12) 3 4_466 ?
O5 Rb1 Mo2 37.04(11) 3 1_455 ?
O5 Rb1 O5 146.4(2) 3 2_565 ?
O12 Rb1 Mo2 91.80(16) 4_566 4_466 ?
O12 Rb1 Mo2 165.48(14) 4_566 1_455 ?
O12 Rb1 Mo2 91.80(16) . 1_455 ?
O12 Rb1 Mo2 165.48(14) . 4_466 ?
O12 Rb1 O10 136.44(18) . 4_466 ?
O12 Rb1 O10 136.44(18) 4_566 1_455 ?
O12 Rb1 O10 114.21(19) 4_566 4_466 ?
O12 Rb1 O10 114.21(19) . 1_455 ?
O12 Rb1 O5 139.07(18) . 2_565 ?
O12 Rb1 O5 139.07(18) 4_566 3 ?
O12 Rb1 O5 67.95(19) . 3 ?
O12 Rb1 O5 67.95(19) 4_566 2_565 ?
O12 Rb1 O12 97.8(3) . 4_566 ?
O12 Rb1 O11 79.1(2) 4_566 4_466 ?
O12 Rb1 O11 168.69(18) 4_566 1_455 ?
O12 Rb1 O11 79.1(2) . 1_455 ?
O12 Rb1 O11 168.69(18) . 4_466 ?
O12 Rb1 O8 60.3(2) . 4_566 ?
O12 Rb1 O8 80.2(2) 4_566 4_566 ?
O12 Rb1 O8 60.3(2) 4_566 . ?
O12 Rb1 O8 80.2(2) . . ?
O11 Rb1 Mo2 89.36(15) 1_455 4_466 ?
O11 Rb1 Mo2 25.24(13) 1_455 1_455 ?
O11 Rb1 Mo2 89.36(15) 4_466 1_455 ?
O11 Rb1 Mo2 25.24(13) 4_466 4_466 ?
O11 Rb1 O10 53.46(17) 4_466 4_466 ?
O11 Rb1 O10 53.46(17) 1_455 1_455 ?
O11 Rb1 O10 63.63(19) 1_455 4_466 ?
O11 Rb1 O10 63.63(19) 4_466 1_455 ?
O11 Rb1 O5 49.86(18) 4_466 2_565 ?
O11 Rb1 O5 107.24(19) 4_466 3 ?
O11 Rb1 O5 107.24(19) 1_455 2_565 ?
O11 Rb1 O5 49.86(18) 1_455 3 ?
O11 Rb1 O11 106.0(3) 4_466 1_455 ?
O11 Rb1 O8 88.88(19) 1_455 4_566 ?
O11 Rb1 O8 88.88(19) 4_466 . ?
O11 Rb1 O8 129.0(2) 4_466 4_566 ?
O11 Rb1 O8 129.0(2) 1_455 . ?
O8 Rb1 Mo2 111.21(16) . 1_455 ?
O8 Rb1 Mo2 111.21(16) 4_566 4_466 ?
O8 Rb1 Mo2 114.11(14) 4_566 1_455 ?
O8 Rb1 Mo2 114.11(14) . 4_466 ?
O8 Rb1 O5 118.75(19) . 2_565 ?
O8 Rb1 O5 118.75(19) 4_566 3 ?
O8 Rb1 O5 79.17(19) 4_566 2_565 ?
O8 Rb1 O5 79.17(19) . 3 ?
O8 Rb1 O8 119.2(3) . 4_566 ?
Mo1 Rb2 Mo2 91.94(4) 6 4_566 ?
Mo03 Rb2 Mo2 124.31(4) 8_556 4_566 ?
Mo03 Rb2 Mo2 71.99(3) . 4_566 ?
Mo03 Rb2 Mo1 124.93(4) . 6 ?
Mo03 Rb2 Mo1 124.14(4) 8_556 6 ?
Mo03 Rb2 Mo03 107.35(4) . 8_556 ?
O3 Rb2 Mo2 102.71(15) 8_556 4_566 ?
O3 Rb2 Mo1 111.86(15) 8_556 6 ?
O3 Rb2 Mo03 29.25(14) 8_556 8_556 ?
O3 Rb2 Mo03 122.90(15) 8_556 . ?
O3 Rb2 O2 95.44(18) 8_556 6 ?
O3 Rb2 O9 131.0(2) 8_556 8_456 ?
O3 Rb2 O11 86.6(2) 8_556 4_566 ?
O3 Rb2 O8 148.7(2) 8_556 . ?
O3 Rb2 O8 54.3(2) 8_556 8_556 ?
O2 Rb2 Mo2 126.77(12) 6 4_566 ?
O2 Rb2 Mo1 35.28(12) 6 6 ?
O2 Rb2 Mo03 94.31(12) 6 8_556 ?
O2 Rb2 Mo03 134.28(12) 6 . ?
O2 Rb2 O8 114.02(18) 6 . ?
O9 Rb2 Mo2 79.01(16) . 4_566 ?
O9 Rb2 Mo2 125.94(16) 8_456 4_566 ?
O9 Rb2 Mo1 148.40(18) . 6 ?
O9 Rb2 Mo1 65.73(15) 8_456 6 ?
O9 Rb2 Mo03 23.54(17) . . ?
O9 Rb2 Mo03 81.85(15) 8_456 . ?
O9 Rb2 Mo03 84.79(17) . 8_556 ?
O9 Rb2 Mo03 108.23(16) 8_456 8_556 ?
O9 Rb2 O3 99.7(2) . 8_556 ?
O9 Rb2 O2 52.91(19) 8_456 6 ?
O9 Rb2 O2 146.1(2) . 6 ?
O9 Rb2 O9 95.15(18) . 8_456 ?
O9 Rb2 O11 65.9(2) . 4_566 ?
O9 Rb2 O11 141.4(2) 8_456 4_566 ?
O9 Rb2 O8 49.8(2) . . ?
O9 Rb2 O8 67.4(2) 8_456 . ?
O9 Rb2 O8 76.7(2) . 8_556 ?
O9 Rb2 O8 85.0(2) 8_456 8_556 ?
O1 Rb2 Mo2 71.77(14) 6 4_566 ?
O1 Rb2 Mo1 20.20(14) 6 6 ?
O1 Rb2 Mo03 135.84(16) 6 8_556 ?
O1 Rb2 Mo03 116.80(16) 6 . ?
O1 Rb2 O3 114.5(2) 6 8_556 ?
O1 Rb2 O2 55.21(18) 6 6 ?
O1 Rb2 O9 138.8(2) 6 . ?
O1 Rb2 O9 79.9(2) 6 8_456 ?
O1 Rb2 O11 92.8(2) 6 4_566 ?
O1 Rb2 O8 92.0(2) 6 . ?
O1 Rb2 O8 142.2(2) 6 8_556 ?
O11 Rb2 Mo2 22.62(13) 4_566 4_566 ?
O11 Rb2 Mo1 112.89(14) 4_566 6 ?
O11 Rb2 Mo03 103.29(14) 4_566 8_556 ?
O11 Rb2 Mo03 67.74(15) 4_566 . ?
O11 Rb2 O2 145.66(18) 4_566 6 ?
O11 Rb2 O8 75.1(2) 4_566 . ?
O8 Rb2 Mo2 142.15(17) 8_556 4_566 ?
O8 Rb2 Mo2 68.62(14) . 4_566 ?
O8 Rb2 Mo1 98.70(13) . 6 ?
O8 Rb2 Mo1 123.27(18) 8_556 6 ?
O8 Rb2 Mo03 131.74(14) . 8_556 ?
O8 Rb2 Mo03 25.31(14) 8_556 8_556 ?
O8 Rb2 Mo03 94.77(17) 8_556 . ?
O8 Rb2 Mo03 26.24(13) . . ?
O8 Rb2 O2 88.2(2) 8_556 6 ?
O8 Rb2 O11 119.5(2) 8_556 4_566 ?
O8 Rb2 O8 113.78(15) 8_556 . ?
Mo1 K1 P007 156.28(4) 5_455 3 ?
O7 K1 Mo1 100.39(15) . 5_455 ?
O7 K1 Mo1 100.39(15) 1_455 5_455 ?
O7 K1 P007 102.85(16) . 3 ?
O7 K1 P007 56.45(15) 1_455 3 ?
O7 K1 O7 159.2(3) . 1_455 ?
O5 K1 Mo1 140.58(15) . 5_455 ?
O5 K1 Mo1 140.58(15) 3 5_455 ?
O5 K1 P007 21.95(15) 3 3 ?
O5 K1 P007 60.85(16) . 3 ?
O5 K1 O7 52.90(19) . . ?
O5 K1 O7 52.90(19) 3 1_455 ?
O5 K1 O7 108.9(2) 3 . ?
O5 K1 O7 108.9(2) . 1_455 ?
O5 K1 O5 78.8(3) 3 . ?
O5 K1 O1 139.6(2) . 5_455 ?
O5 K1 O1 139.6(2) 3 7 ?
O5 K1 O1 125.9(2) 3 5_455 ?
O5 K1 O1 125.9(2) . 7 ?
O5 K1 O12 87.0(2) . . ?
O5 K1 O12 87.0(2) 3 3 ?
O5 K1 O12 80.1(2) . 3 ?
O5 K1 O12 80.1(2) 3 . ?
O5 K1 O11 131.8(2) . 1_455 ?
O5 K1 O11 53.64(19) 3 1_455 ?
O5 K1 O11 53.64(19) . 3_655 ?
O5 K1 O11 131.8(2) 3 3_655 ?
O1 K1 Mo1 29.21(15) 7 5_455 ?
O1 K1 Mo1 29.21(15) 5_455 5_455 ?
O1 K1 P007 160.46(16) 7 3 ?
O1 K1 P007 130.99(16) 5_455 3 ?
O1 K1 O7 75.4(2) 5_455 1_455 ?
O1 K1 O7 124.5(2) 5_455 . ?
O1 K1 O7 75.4(2) 7 . ?
O1 K1 O7 124.5(2) 7 1_455 ?
O1 K1 O1 58.4(3) 7 5_455 ?
O1 K1 O12 125.1(2) 5_455 . ?
O1 K1 O12 125.1(2) 7 3 ?
O1 K1 O12 71.2(2) 5_455 3 ?
O1 K1 O12 71.2(2) 7 . ?
O1 K1 O11 92.4(2) 7 1_455 ?
O1 K1 O11 92.4(2) 5_455 3_655 ?
O1 K1 O11 82.8(2) 7 3_655 ?
O1 K1 O11 82.8(2) 5_455 1_455 ?
O12 K1 Mo1 98.34(16) 3 5_455 ?
O12 K1 Mo1 98.34(16) . 5_455 ?
O12 K1 P007 92.04(17) . 3 ?
O12 K1 P007 72.48(15) 3 3 ?
O12 K1 O7 52.63(14) 3 1_455 ?
O12 K1 O7 123.68(16) . 1_455 ?
O12 K1 O7 123.68(16) 3 . ?
O12 K1 O7 52.63(14) . . ?
O12 K1 O12 163.3(3) 3 . ?
O12 K1 O11 102.28(19) 3 1_455 ?
O12 K1 O11 102.29(19) . 3_655 ?
O12 K1 O11 78.53(19) . 1_455 ?
O12 K1 O11 78.53(19) 3 3_655 ?
O11 K1 Mo1 87.24(14) 3_655 5_455 ?
O11 K1 Mo1 87.24(14) 1_455 5_455 ?
O11 K1 P007 73.94(13) 1_455 3 ?
O11 K1 P007 111.39(15) 3_655 3 ?
O11 K1 O7 131.12(14) 1_455 . ?
O11 K1 O7 50.18(13) 1_455 1_455 ?
O11 K1 O7 50.18(13) 3_655 . ?
O11 K1 O7 131.12(14) 3_655 1_455 ?
O11 K1 O11 174.5(3) 1_455 3_655 ?
O6 P007 K1 83.1(3) . . ?
O6 P007 O4 107.6(3) . . ?
O2 P007 K1 155.4(3) . . ?
O2 P007 O6 112.5(4) . . ?
O2 P007 O4 101.5(4) . . ?
O5 P007 K1 42.2(3) . . ?
O5 P007 O6 110.8(4) . . ?
O5 P007 O2 113.2(4) . . ?
O5 P007 O4 110.8(4) . . ?
O4 P007 K1 91.0(3) . . ?
Mo2 O7 Mo2 154.7(5) . 3_655 ?
Mo2 O7 K1 92.25(3) 3_655 1_655 ?
Mo2 O7 K1 92.28(3) . 1_655 ?
Mo2 O7 K1 92.25(3) . . ?
Mo2 O7 K1 92.28(3) 3_655 . ?
K1 O7 K1 159.2(3) 1_655 . ?
Mo2 O10 Mo03 124.8(3) . . ?
Mo2 O10 Rb1 96.3(2) . 1_655 ?
Mo03 O10 Rb1 130.5(3) . 1_655 ?
Mo03 O6 Mo2 93.4(2) . . ?
P007 O6 Mo2 133.0(4) . . ?
P007 O6 Mo03 131.0(4) . . ?
Mo1 O3 Mo03 123.0(3) . . ?
Mo1 O3 Rb2 131.8(3) . 8_456 ?
Mo03 O3 Rb2 105.0(3) . 8_456 ?
Mo1 O2 Mo03 93.5(2) . 3_655 ?
Mo1 O2 Rb2 89.0(2) . 6_554 ?
Mo03 O2 Rb2 94.8(2) 3_655 6_554 ?
P007 O2 Mo1 126.7(4) . . ?
P007 O2 Mo03 127.2(4) . 3_655 ?
P007 O2 Rb2 115.8(3) . 6_554 ?
Mo03 O9 Rb2 116.7(4) . . ?
Mo03 O9 Rb2 124.7(4) . 8_556 ?
Mo03 O9 K2 116.7(4) . . ?
Rb2 O9 Rb2 115.1(3) . 8_556 ?
Mo2 O5 Rb1 83.2(2) 3_655 2_564 ?
Mo2 O5 K1 100.1(2) 3_655 . ?
K1 O5 Rb1 97.89(19) . 2_564 ?
P007 O5 Mo2 117.2(4) . 3_655 ?
P007 O5 Rb1 134.5(3) . 2_564 ?
P007 O5 K1 115.8(4) . . ?
P007 O4 P007 130.5(6) . 3 ?
Mo1 O1 Rb2 126.0(3) . 6_554 ?
Mo1 O1 K1 99.5(3) . 5_545 ?
K1 O1 Rb2 132.0(3) 5_545 6_554 ?
Mo2 O12 Rb1 129.9(4) . . ?
Mo2 O12 K1 111.8(4) . . ?
K1 O12 Rb1 101.0(2) . . ?
Mo2 O11 Rb1 103.0(3) . 1_655 ?
Mo2 O11 Rb2 112.0(3) . 4_566 ?
Mo2 O11 K1 96.4(3) . 1_655 ?
Rb1 O11 Rb2 136.0(3) 1_655 4_566 ?
Rb1 O11 K1 91.2(2) 1_655 1_655 ?
Rb2 O11 K1 109.9(2) 4_566 1_655 ?
Mo03 O8 Rb1 122.6(4) . . ?
Mo03 O8 Rb2 89.1(3) . . ?
Mo03 O8 Rb2 104.4(3) . 8_456 ?
Rb1 O8 Rb2 122.1(2) . . ?
Rb2 O8 Rb1 116.9(3) 8_456 . ?
Rb2 O8 Rb2 95.6(2) 8_456 . ?
Mo2 K2 K1 49.40(3) 4_566 2_565 ?
Mo1 K2 Mo2 91.94(4) 6 4_566 ?
Mo1 K2 K1 43.30(3) 6 2_565 ?
Mo03 K2 Mo2 124.31(4) 8_556 4_566 ?
Mo03 K2 Mo2 71.99(3) . 4_566 ?
Mo03 K2 Mo1 124.93(4) . 6 ?
Mo03 K2 Mo1 124.14(4) 8_556 6 ?
Mo03 K2 Mo03 107.35(4) . 8_556 ?
Mo03 K2 K1 150.56(4) 8_556 2_565 ?
Mo03 K2 K1 97.56(4) . 2_565 ?
O3 K2 Mo2 102.71(15) 8_556 4_566 ?
O3 K2 Mo1 111.86(15) 8_556 6 ?
O3 K2 Mo03 122.90(15) 8_556 . ?
O3 K2 Mo03 29.25(14) 8_556 8_556 ?
O3 K2 K1 122.20(15) 8_556 2_565 ?
O3 K2 O2 95.44(18) 8_556 6 ?
O3 K2 O9 131.0(2) 8_556 8_456 ?
O3 K2 O11 86.6(2) 8_556 4_566 ?
O3 K2 O8 54.3(2) 8_556 8_556 ?
O2 K2 Mo2 126.77(12) 6 4_566 ?
O2 K2 Mo1 35.28(12) 6 6 ?
O2 K2 Mo03 134.28(12) 6 . ?
O2 K2 Mo03 94.31(12) 6 8_556 ?
O2 K2 K1 78.57(12) 6 2_565 ?
O9 K2 Mo2 125.94(16) 8_456 4_566 ?
O9 K2 Mo2 79.01(16) . 4_566 ?
O9 K2 Mo1 148.40(18) . 6 ?
O9 K2 Mo1 65.73(15) 8_456 6 ?
O9 K2 Mo03 23.54(17) . . ?
O9 K2 Mo03 84.79(17) . 8_556 ?
O9 K2 Mo03 108.23(16) 8_456 8_556 ?
O9 K2 Mo03 81.85(15) 8_456 . ?
O9 K2 K1 90.34(16) 8_456 2_565 ?
O9 K2 K1 116.90(17) . 2_565 ?
O9 K2 O3 99.7(2) . 8_556 ?
O9 K2 O2 52.91(19) 8_456 6 ?
O9 K2 O2 146.1(2) . 6 ?
O9 K2 O9 95.15(18) . 8_456 ?
O9 K2 O11 141.4(2) 8_456 4_566 ?
O9 K2 O11 65.9(2) . 4_566 ?
O9 K2 O8 76.7(2) . 8_556 ?
O9 K2 O8 85.0(2) 8_456 8_556 ?
O1 K2 Mo2 71.77(14) 6 4_566 ?
O1 K2 Mo1 20.20(14) 6 6 ?
O1 K2 Mo03 135.84(16) 6 8_556 ?
O1 K2 Mo03 116.80(16) 6 . ?
O1 K2 K1 23.93(15) 6 2_565 ?
O1 K2 O3 114.5(2) 6 8_556 ?
O1 K2 O2 55.21(18) 6 6 ?
O1 K2 O9 138.8(2) 6 . ?
O1 K2 O9 79.9(2) 6 8_456 ?
O1 K2 O11 92.8(2) 6 4_566 ?
O1 K2 O8 142.2(2) 6 8_556 ?
O11 K2 Mo2 22.62(13) 4_566 4_566 ?
O11 K2 Mo1 112.89(14) 4_566 6 ?
O11 K2 Mo03 103.29(14) 4_566 8_556 ?
O11 K2 Mo03 67.74(15) 4_566 . ?
O11 K2 K1 71.58(14) 4_566 2_565 ?
O11 K2 O2 145.66(18) 4_566 6 ?
O8 K2 Mo2 142.15(17) 8_556 4_566 ?
O8 K2 Mo1 123.27(18) 8_556 6 ?
O8 K2 Mo03 94.77(17) 8_556 . ?
O8 K2 Mo03 25.31(14) 8_556 8_556 ?
O8 K2 K1 166.06(18) 8_556 2_565 ?
O8 K2 O2 88.2(2) 8_556 6 ?
O8 K2 O11 119.5(2) 8_556 4_566 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rb1 Mo2 O12 Rb1 -58.8(5) 1_655 . . . ?
Rb1 Mo2 O12 K1 174.19(11) 1_655 . . . ?
Rb1 Mo2 O11 Rb2 -152.8(5) 1_655 . . 4_566 ?
Rb1 Mo2 O11 K1 92.7(3) 1_655 . . 1_655 ?
Rb2 Mo2 O12 Rb1 -134.5(5) 4_566 . . . ?
Rb2 Mo2 O12 K1 98.5(3) 4_566 . . . ?
Rb2 Mo2 O11 Rb1 152.8(5) 4_566 . . 1_655 ?
Rb2 Mo2 O11 K1 -114.5(4) 4_566 . . 1_655 ?
Rb2 Mo1 O1 Rb2 -176.37(13) 8_556 . . 6_554 ?
Rb2 Mo1 O1 K1 -12.6(5) 8_556 . . 5_545 ?
Rb2 Mo1 O1 K1 163.8(6) 6_554 . . 5_545 ?
Rb2 Mo03 O9 Rb2 103.8(4) 8_456 . . 8_556 ?
Rb2 Mo03 O9 Rb2 -53.8(4) 8_456 . . . ?
Rb2 Mo03 O9 Rb2 -157.6(7) 8_556 . . . ?
Rb2 Mo03 O9 Rb2 157.6(7) . . . 8_556 ?
Rb2 Mo03 O8 Rb1 128.4(5) . . . . ?
Rb2 Mo03 O8 Rb1 -136.0(6) 8_456 . . . ?
Rb2 Mo03 O8 Rb1 150.1(2) 8_556 . . . ?
Rb2 Mo03 O8 Rb2 21.7(4) 8_556 . . . ?
Rb2 Mo03 O8 Rb2 95.6(3) 8_456 . . . ?
Rb2 Mo03 O8 Rb2 -95.6(3) . . . 8_456 ?
Rb2 Mo03 O8 Rb2 -73.9(4) 8_556 . . 8_456 ?
K1 Mo2 O12 Rb1 127.0(6) . . . . ?
K1 Mo2 O12 Rb1 -165.46(13) 1_655 . . . ?
K1 Mo2 O12 K1 67.6(5) 1_655 . . . ?
K1 Mo2 O11 Rb1 -92.7(3) 1_655 . . 1_655 ?
K1 Mo2 O11 Rb1 167.23(7) . . . 1_655 ?
K1 Mo2 O11 Rb2 114.5(4) 1_655 . . 4_566 ?
K1 Mo2 O11 Rb2 14.5(4) . . . 4_566 ?
K1 Mo2 O11 K1 -100.0(2) . . . 1_655 ?
K1 Mo1 O1 Rb2 -163.8(6) 5_545 . . 6_554 ?
K1 P007 O6 Mo2 -48.3(4) . . . . ?
K1 P007 O6 Mo03 155.3(5) . . . . ?
K1 P007 O2 Mo1 157.7(3) . . . . ?
K1 P007 O2 Mo03 26.1(9) . . . 3_655 ?
K1 P007 O2 Rb2 -92.7(6) . . . 6_554 ?
K1 P007 O5 Mo2 117.9(5) . . . 3_655 ?
K1 P007 O5 Rb1 -133.6(6) . . . 2_564 ?
K1 P007 O4 P007 0.000(1) . . . 3 ?
O7 Mo2 O12 Rb1 143.7(4) . . . . ?
O7 Mo2 O12 K1 16.8(4) . . . . ?
O7 Mo2 O11 Rb1 -132.9(2) . . . 1_655 ?
O7 Mo2 O11 Rb2 74.3(3) . . . 4_566 ?
O7 Mo2 O11 K1 -40.2(3) . . . 1_655 ?
O10 Mo2 O12 Rb1 -4.1(5) . . . . ?
O10 Mo2 O12 K1 -131.1(3) . . . . ?
O10 Mo2 O11 Rb1 17.4(3) . . . 1_655 ?
O10 Mo2 O11 Rb2 -135.3(3) . . . 4_566 ?
O10 Mo2 O11 K1 110.2(3) . . . 1_655 ?
O10 Mo03 O9 Rb2 102.9(4) . . . . ?
O10 Mo03 O9 Rb2 -99.5(4) . . . 8_556 ?
O10 Mo03 O9 K2 102.9(4) . . . . ?
O10 Mo03 O8 Rb1 26.5(5) . . . . ?
O10 Mo03 O8 Rb2 -101.9(2) . . . . ?
O10 Mo03 O8 Rb2 162.5(3) . . . 8_456 ?
O6 Mo2 O12 Rb1 63.3(4) . . . . ?
O6 Mo2 O12 K1 -63.7(3) . . . . ?
O6 Mo2 O11 Rb1 -26(2) . . . 1_655 ?
O6 Mo2 O11 Rb2 -178.4(16) . . . 4_566 ?
O6 Mo2 O11 K1 67.1(19) . . . 1_655 ?
O6 Mo03 O9 Rb2 -32.4(10) . . . 8_556 ?
O6 Mo03 O9 Rb2 170.0(5) . . . . ?
O6 Mo03 O9 K2 170.0(5) . . . . ?
O6 Mo03 O8 Rb1 -47.2(4) . . . . ?
O6 Mo03 O8 Rb2 88.9(3) . . . 8_456 ?
O6 Mo03 O8 Rb2 -175.6(2) . . . . ?
O6 P007 O2 Mo1 31.4(6) . . . . ?
O6 P007 O2 Mo03 -100.1(5) . . . 3_655 ?
O6 P007 O2 Rb2 141.0(3) . . . 6_554 ?
O6 P007 O5 Mo2 65.6(5) . . . 3_655 ?
O6 P007 O5 Rb1 174.1(4) . . . 2_564 ?
O6 P007 O5 K1 -52.4(5) . . . . ?
O6 P007 O4 P007 83.1(3) . . . 3 ?
O3 Mo1 O1 Rb2 -62.3(5) 3_655 . . 6_554 ?
O3 Mo1 O1 Rb2 90.9(4) . . . 6_554 ?
O3 Mo1 O1 K1 101.5(3) 3_655 . . 5_545 ?
O3 Mo1 O1 K1 -105.4(3) . . . 5_545 ?
O3 Mo03 O9 Rb2 57.3(5) . . . 8_556 ?
O3 Mo03 O9 Rb2 -100.3(4) . . . . ?
O3 Mo03 O9 K2 -100.3(4) . . . . ?
O3 Mo03 O8 Rb1 -128.7(4) . . . . ?
O3 Mo03 O8 Rb2 7.3(4) . . . 8_456 ?
O3 Mo03 O8 Rb2 102.9(2) . . . . ?
O2 Mo1 O1 Rb2 47.3(15) 3_655 . . 6_554 ?
O2 Mo1 O1 Rb2 9.4(4) . . . 6_554 ?
O2 Mo1 O1 K1 -148.9(11) 3_655 . . 5_545 ?
O2 Mo1 O1 K1 173.1(3) . . . 5_545 ?
O2 Mo03 O9 Rb2 -170.1(4) 3_655 . . . ?
O2 Mo03 O9 Rb2 -12.5(4) 3_655 . . 8_556 ?
O2 Mo03 O9 K2 -170.1(4) 3_655 . . . ?
O2 Mo03 O8 Rb1 -99.5(12) 3_655 . . . ?
O2 Mo03 O8 Rb2 36.6(14) 3_655 . . 8_456 ?
O2 Mo03 O8 Rb2 132.1(11) 3_655 . . . ?
O2 P007 O6 Mo2 112.0(5) . . . . ?
O2 P007 O6 Mo03 -44.5(6) . . . . ?
O2 P007 O5 Mo2 -61.9(5) . . . 3_655 ?
O2 P007 O5 Rb1 46.6(6) . . . 2_564 ?
O2 P007 O5 K1 -179.8(3) . . . . ?
O2 P007 O4 P007 -158.7(3) . . . 3 ?
O9 Mo03 O8 Rb1 129.8(4) . . . . ?
O9 Mo03 O8 Rb2 1.4(3) . . . . ?
O9 Mo03 O8 Rb2 -94.1(4) . . . 8_456 ?
O5 Mo2 O11 Rb1 -55.9(3) 3_655 . . 1_655 ?
O5 Mo2 O11 Rb2 151.3(3) 3_655 . . 4_566 ?
O5 Mo2 O11 K1 36.8(2) 3_655 . . 1_655 ?
O5 P007 O6 Mo2 -15.8(7) . . . . ?
O5 P007 O6 Mo03 -172.3(5) . . . . ?
O5 P007 O2 Mo1 158.0(4) . . . . ?
O5 P007 O2 Mo03 26.4(6) . . . 3_655 ?
O5 P007 O2 Rb2 -92.4(4) . . . 6_554 ?
O5 P007 O4 P007 -38.2(3) . . . 3 ?
O4 P007 O6 Mo2 -137.1(5) . . . . ?
O4 P007 O6 Mo03 66.4(6) . . . . ?
O4 P007 O2 Mo1 -83.3(4) . . . . ?
O4 P007 O2 Mo03 145.2(4) . . . 3_655 ?
O4 P007 O2 Rb2 26.3(3) . . . 6_554 ?
O4 P007 O5 Mo2 -175.1(3) . . . 3_655 ?
O4 P007 O5 Rb1 -66.6(5) . . . 2_564 ?
O4 P007 O5 K1 67.0(4) . . . . ?
O1 Mo1 O1 Rb2 -163.7(6) 3_655 . . 6_554 ?
O1 Mo1 O1 K1 0.001(0) 3_655 . . 5_545 ?
O12 Mo2 O11 Rb1 123.2(3) . . . 1_655 ?
O12 Mo2 O11 Rb2 -29.6(4) . . . 4_566 ?
O12 Mo2 O11 K1 -144.1(3) . . . 1_655 ?
O11 Mo2 O12 Rb1 -111.4(5) . . . . ?
O11 Mo2 O12 K1 121.6(4) . . . . ?
O8 Mo03 O9 Rb2 -2.0(5) . . . . ?
O8 Mo03 O9 Rb2 155.6(4) . . . 8_556 ?
O8 Mo03 O9 K2 -2.0(5) . . . . ?
K2 Mo03 O8 Rb1 128.4(5) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
