# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_710_2_2_02_3_1_autored
_database_code_depnum_ccdc_archive 'CCDC 2293196'
loop_
_audit_author_name
_audit_author_address
'Conggang Li'
;Tianjin University of Technology
China
;
_audit_update_record             
;
2023-09-06 deposited with the CCDC.	2023-10-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cs3 Ge3 O9 Y'
_chemical_formula_weight         849.41

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'
Ge Ge 0.1547 1.8001 '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'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'

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

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

_cell_length_a                   13.7994(3)
_cell_length_b                   7.1087(2)
_cell_length_c                   12.7190(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1247.68(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    4475
_cell_measurement_theta_min      3.28
_cell_measurement_theta_max      27.47

_exptl_crystal_description       square
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.522
_exptl_crystal_F_000             1488
_exptl_transmission_factor_min   0.4964
_exptl_transmission_factor_max   0.7456
_exptl_crystal_size_max          0.074
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.038
_exptl_absorpt_coefficient_mu    20.413
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8863
_diffrn_reflns_av_unetI/netI     0.0395
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.952
_diffrn_reflns_theta_max         32.657
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.862
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.862
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.731
_diffrn_reflns_point_group_measured_fraction_full 0.924
_reflns_number_total             3346
_reflns_number_gt                3178
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.635
_reflns_Friedel_fraction_max     0.590
_reflns_Friedel_fraction_full    0.841

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0327P)²+1.0110P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0061(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 1156 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.009(8)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3346
_refine_ls_number_parameters     156
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0290
_refine_ls_wR_factor_ref         0.0663
_refine_ls_wR_factor_gt          0.0646
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.67186(4) 0.54450(12) 0.46804(7) 0.03190(19) Uani 1 1 d . . . . .
Cs2 Cs 0.67737(5) 0.05009(11) 0.62198(8) 0.03411(19) Uani 1 1 d . . . . .
Cs3 Cs 0.4370(3) 0.8944(7) 0.4025(5) 0.0315(9) Uani 0.71(4) 1 d . . P A 1
Y1 Y 0.53807(5) 0.34616(11) 0.22586(8) 0.00680(15) Uani 1 1 d . . . . .
Ge1 Ge 0.41143(6) 0.39580(12) 0.47810(8) 0.00875(17) Uani 1 1 d . . . . .
Ge2 Ge 0.22445(5) -0.10761(12) 0.77507(8) 0.00963(18) Uani 1 1 d . . . . .
Ge3 Ge 0.39533(6) 0.15442(12) 0.68822(8) 0.00841(17) Uani 1 1 d . . . . .
O1 O 0.5028(4) 0.3112(9) 0.3991(5) 0.0145(12) Uani 1 1 d . . . . .
O4 O 0.4401(5) 0.3440(9) 0.7573(5) 0.0180(13) Uani 1 1 d . . . . .
O6 O 0.2778(5) 0.1095(9) 0.7365(6) 0.0255(16) Uani 1 1 d . . . . .
O8 O 0.1224(4) -0.1451(10) 0.6989(5) 0.0204(14) Uani 1 1 d . . . . .
O9 O 0.3652(4) 0.2062(9) 0.5558(5) 0.0157(12) Uani 1 1 d . . . . .
O5 O 0.3042(4) -0.2955(9) 0.7716(6) 0.0188(13) Uani 1 1 d . . . . .
O3 O 0.4709(4) -0.0366(8) 0.6901(6) 0.0149(12) Uani 1 1 d . . . . .
O7 O 0.3047(5) 0.4551(11) 0.4059(5) 0.0237(16) Uani 1 1 d . . . . .
O2 O 0.4414(5) 0.5866(10) 0.5549(5) 0.0216(15) Uani 1 1 d . . . . .
Cs3A Cs 0.454(2) 0.901(2) 0.416(2) 0.059(3) Uani 0.29(4) 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
Cs1 O1 2.993(6) . ?
Cs1 O5 3.079(7) 2_654 ?
Cs1 O8 3.098(7) 3 ?
Cs1 O4 3.194(7) 2_664 ?
Cs1 O2 3.381(7) . ?
Cs1 O9 3.397(6) 3 ?
Cs1 Ge1 3.7482(10) . ?
Cs1 Cs3 3.778(4) 3_565 ?
Cs1 Y1 3.8581(10) . ?
Cs1 Cs3A 3.97(3) 3_565 ?
Cs1 Cs3A 3.99(3) . ?
Cs1 Ge2 3.9972(11) 3 ?
Cs2 O3 3.041(6) . ?
Cs2 O8 3.134(7) 3_545 ?
Cs2 O6 3.146(7) 3 ?
Cs2 O5 3.156(7) 3_545 ?
Cs2 O9 3.230(7) 3 ?
Cs2 O7 3.262(7) 3 ?
Cs2 Ge1 3.7322(11) 3 ?
Cs2 Ge2 3.7560(12) 3_545 ?
Cs2 Ge3 3.7640(11) 3 ?
Cs2 Cs3 3.921(7) 2_665 ?
Cs2 Ge3 4.0506(10) . ?
Cs3 O2 2.925(9) . ?
Cs3 O4 3.026(8) 2_664 ?
Cs3 O1 3.099(8) 1_565 ?
Cs3 O9 3.114(9) 1_565 ?
Cs3 O3 3.152(9) 2_664 ?
Cs3 Ge3 3.591(5) 2_664 ?
Cs3 O7 3.618(9) . ?
Cs3 Ge1 3.690(5) . ?
Cs3 Ge1 3.708(5) 1_565 ?
Cs3 O3 3.721(10) 1_565 ?
Y1 O8 2.241(6) 4_554 ?
Y1 O2 2.244(7) 2_664 ?
Y1 O3 2.250(6) 2_654 ?
Y1 O4 2.259(6) 2_664 ?
Y1 O1 2.270(6) . ?
Y1 O5 2.281(6) 2_654 ?
Y1 Cs3A 4.149(14) 1_545 ?
Y1 Cs3A 4.32(2) 2_664 ?
Ge1 O1 1.721(6) . ?
Ge1 O2 1.722(7) . ?
Ge1 O7 1.786(6) . ?
Ge1 O9 1.789(6) . ?
Ge1 Cs3A 3.656(15) 1_545 ?
Ge1 Cs3A 3.721(15) . ?
Ge2 O8 1.730(6) . ?
Ge2 O5 1.732(6) . ?
Ge2 O7 1.769(6) 4_545 ?
Ge2 O6 1.779(6) . ?
Ge3 O3 1.712(6) . ?
Ge3 O4 1.723(6) . ?
Ge3 O6 1.763(6) . ?
Ge3 O9 1.774(6) . ?
Ge3 Cs3A 3.585(14) 2_665 ?
Ge3 Cs3A 3.99(2) 1_545 ?
O1 Cs3A 3.004(19) 1_545 ?
O4 Cs3A 3.037(15) 2_665 ?
O9 Cs3A 3.064(16) 1_545 ?
O3 Cs3A 3.201(17) 2_665 ?
O3 Cs3A 3.53(3) 1_545 ?
O7 Cs3A 3.78(3) . ?
O2 Cs3A 2.855(17) . ?

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
O1 Cs1 O5 61.80(15) . 2_654 ?
O1 Cs1 O8 103.52(15) . 3 ?
O5 Cs1 O8 157.69(18) 2_654 3 ?
O1 Cs1 O4 60.96(16) . 2_664 ?
O5 Cs1 O4 60.90(17) 2_654 2_664 ?
O8 Cs1 O4 129.15(17) 3 2_664 ?
O1 Cs1 O2 53.96(15) . . ?
O5 Cs1 O2 114.64(15) 2_654 . ?
O8 Cs1 O2 57.48(15) 3 . ?
O4 Cs1 O2 78.30(16) 2_664 . ?
O1 Cs1 O9 114.69(16) . 3 ?
O5 Cs1 O9 83.15(15) 2_654 3 ?
O8 Cs1 O9 89.02(15) 3 3 ?
O4 Cs1 O9 141.80(16) 2_664 3 ?
O2 Cs1 O9 132.69(16) . 3 ?
O1 Cs1 Ge1 26.70(11) . . ?
O5 Cs1 Ge1 88.19(11) 2_654 . ?
O8 Cs1 Ge1 79.71(11) 3 . ?
O4 Cs1 Ge1 68.58(11) 2_664 . ?
O2 Cs1 Ge1 27.33(11) . . ?
O9 Cs1 Ge1 126.44(12) 3 . ?
O1 Cs1 Cs3 138.91(14) . 3_565 ?
O5 Cs1 Cs3 77.47(14) 2_654 3_565 ?
O8 Cs1 Cs3 113.34(14) 3 3_565 ?
O4 Cs1 Cs3 104.76(15) 2_664 3_565 ?
O2 Cs1 Cs3 166.73(14) . 3_565 ?
O9 Cs1 Cs3 51.10(14) 3 3_565 ?
Ge1 Cs1 Cs3 165.60(9) . 3_565 ?
O1 Cs1 Y1 35.97(11) . . ?
O5 Cs1 Y1 36.25(11) 2_654 . ?
O8 Cs1 Y1 137.35(11) 3 . ?
O4 Cs1 Y1 35.82(12) 2_664 . ?
O2 Cs1 Y1 80.97(11) . . ?
O9 Cs1 Y1 116.51(11) 3 . ?
Ge1 Cs1 Y1 57.682(19) . . ?
Cs3 Cs1 Y1 109.22(10) 3_565 . ?
O1 Cs1 Cs3A 140.3(3) . 3_565 ?
O5 Cs1 Cs3A 79.3(3) 2_654 3_565 ?
O8 Cs1 Cs3A 110.7(4) 3 3_565 ?
O4 Cs1 Cs3A 108.0(5) 2_664 3_565 ?
O2 Cs1 Cs3A 165.7(3) . 3_565 ?
O9 Cs1 Cs3A 48.4(4) 3 3_565 ?
Ge1 Cs1 Cs3A 166.9(2) . 3_565 ?
Cs3 Cs1 Cs3A 3.2(5) 3_565 3_565 ?
Y1 Cs1 Cs3A 111.8(4) . 3_565 ?
O1 Cs1 Cs3A 73.4(5) . . ?
O5 Cs1 Cs3A 108.1(4) 2_654 . ?
O8 Cs1 Cs3A 81.1(4) 3 . ?
O4 Cs1 Cs3A 48.5(4) 2_664 . ?
O2 Cs1 Cs3A 44.6(3) . . ?
O9 Cs1 Cs3A 168.7(5) 3 . ?
Ge1 Cs1 Cs3A 57.4(4) . . ?
Y1 Cs1 Cs3A 74.8(5) . . ?
Cs3A Cs1 Cs3A 130.50(18) 3_565 . ?
O1 Cs1 Ge2 119.34(11) . 3 ?
O5 Cs1 Ge2 146.89(12) 2_654 3 ?
O8 Cs1 Ge2 24.25(11) 3 3 ?
O4 Cs1 Ge2 151.63(12) 2_664 3 ?
O2 Cs1 Ge2 80.88(11) . 3 ?
O9 Cs1 Ge2 66.13(10) 3 3 ?
Ge1 Cs1 Ge2 99.93(2) . 3 ?
Cs3 Cs1 Ge2 91.55(10) 3_565 3 ?
Y1 Cs1 Ge2 155.22(3) . 3 ?
O3 Cs2 O8 59.87(16) . 3_545 ?
O3 Cs2 O6 115.89(17) . 3 ?
O8 Cs2 O6 131.97(19) 3_545 3 ?
O3 Cs2 O5 103.39(16) . 3_545 ?
O8 Cs2 O5 54.51(15) 3_545 3_545 ?
O6 Cs2 O5 85.26(19) 3 3_545 ?
O3 Cs2 O9 159.22(16) . 3 ?
O8 Cs2 O9 140.23(16) 3_545 3 ?
O6 Cs2 O9 49.80(16) 3 3 ?
O5 Cs2 O9 91.14(15) 3_545 3 ?
O3 Cs2 O7 137.93(17) . 3 ?
O8 Cs2 O7 112.52(19) 3_545 3 ?
O6 Cs2 O7 99.29(17) 3 3 ?
O5 Cs2 O7 101.70(17) 3_545 3 ?
O9 Cs2 O7 49.76(16) 3 3 ?
O3 Cs2 Ge1 166.26(14) . 3 ?
O8 Cs2 Ge1 117.21(12) 3_545 3 ?
O6 Cs2 Ge1 76.50(12) 3 3 ?
O5 Cs2 Ge1 82.81(11) 3_545 3 ?
O9 Cs2 Ge1 28.63(11) 3 3 ?
O7 Cs2 Ge1 28.59(11) 3 3 ?
O3 Cs2 Ge2 81.06(11) . 3_545 ?
O8 Cs2 Ge2 27.22(11) 3_545 3_545 ?
O6 Cs2 Ge2 109.14(15) 3 3_545 ?
O5 Cs2 Ge2 27.29(11) 3_545 3_545 ?
O9 Cs2 Ge2 116.47(11) 3 3_545 ?
O7 Cs2 Ge2 109.52(14) 3 3_545 ?
Ge1 Cs2 Ge2 101.00(2) 3 3_545 ?
O3 Cs2 Ge3 142.94(13) . 3 ?
O8 Cs2 Ge3 129.52(11) 3_545 3 ?
O6 Cs2 Ge3 27.77(11) 3 3 ?
O5 Cs2 Ge3 75.04(11) 3_545 3 ?
O9 Cs2 Ge3 28.08(11) 3 3 ?
O7 Cs2 Ge3 76.38(11) 3 3 ?
Ge1 Cs2 Ge3 50.26(2) 3 3 ?
Ge2 Cs2 Ge3 102.30(3) 3_545 3 ?
O3 Cs2 Cs3 51.98(15) . 2_665 ?
O8 Cs2 Cs3 73.20(15) 3_545 2_665 ?
O6 Cs2 Cs3 71.26(14) 3 2_665 ?
O5 Cs2 Cs3 74.47(14) 3_545 2_665 ?
O9 Cs2 Cs3 120.43(12) 3 2_665 ?
O7 Cs2 Cs3 169.89(13) 3 2_665 ?
Ge1 Cs2 Cs3 141.64(6) 3 2_665 ?
Ge2 Cs2 Cs3 71.47(8) 3_545 2_665 ?
Ge3 Cs2 Cs3 93.55(6) 3 2_665 ?
O3 Cs2 Cs1 107.33(11) . . ?
O8 Cs2 Cs1 161.75(11) 3_545 . ?
O6 Cs2 Cs1 64.01(15) 3 . ?
O5 Cs2 Cs1 143.58(11) 3_545 . ?
O9 Cs2 Cs1 54.52(11) 3 . ?
O7 Cs2 Cs1 67.06(14) 3 . ?
Ge1 Cs2 Cs1 71.80(2) 3 . ?
Ge2 Cs2 Cs1 170.74(2) 3_545 . ?
Ge3 Cs2 Cs1 68.69(2) 3 . ?
Cs3 Cs2 Cs1 110.32(8) 2_665 . ?
O3 Cs2 Ge3 22.73(11) . . ?
O8 Cs2 Ge3 82.57(11) 3_545 . ?
O6 Cs2 Ge3 100.73(12) 3 . ?
O5 Cs2 Ge3 120.82(11) 3_545 . ?
O9 Cs2 Ge3 136.65(11) 3 . ?
O7 Cs2 Ge3 134.02(12) 3 . ?
Ge1 Cs2 Ge3 156.16(3) 3 . ?
Ge2 Cs2 Ge3 102.22(2) 3_545 . ?
Ge3 Cs2 Ge3 128.24(3) 3 . ?
Cs3 Cs2 Ge3 53.52(5) 2_665 . ?
Cs1 Cs2 Ge3 85.59(2) . . ?
O2 Cs3 O4 88.5(2) . 2_664 ?
O2 Cs3 O1 135.9(3) . 1_565 ?
O4 Cs3 O1 111.3(2) 2_664 1_565 ?
O2 Cs3 O9 97.1(2) . 1_565 ?
O4 Cs3 O9 163.6(2) 2_664 1_565 ?
O1 Cs3 O9 54.66(18) 1_565 1_565 ?
O2 Cs3 O3 143.1(2) . 2_664 ?
O4 Cs3 O3 55.30(18) 2_664 2_664 ?
O1 Cs3 O3 64.11(18) 1_565 2_664 ?
O9 Cs3 O3 115.9(2) 1_565 2_664 ?
O2 Cs3 Ge3 114.7(2) . 2_664 ?
O4 Cs3 Ge3 28.59(13) 2_664 2_664 ?
O1 Cs3 Ge3 83.87(14) 1_565 2_664 ?
O9 Cs3 Ge3 138.51(19) 1_565 2_664 ?
O3 Cs3 Ge3 28.47(11) 2_664 2_664 ?
O2 Cs3 O7 49.94(18) . . ?
O4 Cs3 O7 78.9(2) 2_664 . ?
O1 Cs3 O7 166.7(2) 1_565 . ?
O9 Cs3 O7 116.50(19) 1_565 . ?
O3 Cs3 O7 119.4(2) 2_664 . ?
Ge3 Cs3 O7 104.52(17) 2_664 . ?
O2 Cs3 Ge1 27.16(13) . . ?
O4 Cs3 Ge1 71.01(16) 2_664 . ?
O1 Cs3 Ge1 161.8(2) 1_565 . ?
O9 Cs3 Ge1 119.33(19) 1_565 . ?
O3 Cs3 Ge1 124.8(2) 2_664 . ?
Ge3 Cs3 Ge1 99.59(12) 2_664 . ?
O7 Cs3 Ge1 28.27(11) . . ?
O2 Cs3 Ge1 123.3(2) . 1_565 ?
O4 Cs3 Ge1 138.59(18) 2_664 1_565 ?
O1 Cs3 Ge1 27.47(11) 1_565 1_565 ?
O9 Cs3 Ge1 28.75(12) 1_565 1_565 ?
O3 Cs3 Ge1 87.28(16) 2_664 1_565 ?
Ge3 Cs3 Ge1 110.56(12) 2_664 1_565 ?
O7 Cs3 Ge1 141.12(14) . 1_565 ?
Ge1 Cs3 Ge1 147.83(17) . 1_565 ?
O2 Cs3 O3 56.22(19) . 1_565 ?
O4 Cs3 O3 127.1(2) 2_664 1_565 ?
O1 Cs3 O3 81.4(2) 1_565 1_565 ?
O9 Cs3 O3 47.97(17) 1_565 1_565 ?
O3 Cs3 O3 138.58(17) 2_664 1_565 ?
Ge3 Cs3 O3 132.68(16) 2_664 1_565 ?
O7 Cs3 O3 99.51(18) . 1_565 ?
Ge1 Cs3 O3 83.23(15) . 1_565 ?
Ge1 Cs3 O3 68.30(14) 1_565 1_565 ?
O2 Cs3 Cs1 87.67(17) . 3_465 ?
O4 Cs3 Cs1 137.9(2) 2_664 3_465 ?
O1 Cs3 Cs1 100.20(16) 1_565 3_465 ?
O9 Cs3 Cs1 58.11(12) 1_565 3_465 ?
O3 Cs3 Cs1 122.9(2) 2_664 3_465 ?
Ge3 Cs3 Cs1 143.38(19) 2_664 3_465 ?
O7 Cs3 Cs1 66.91(12) . 3_465 ?
Ge1 Cs3 Cs1 87.71(9) . 3_465 ?
Ge1 Cs3 Cs1 74.94(8) 1_565 3_465 ?
O3 Cs3 Cs1 83.65(13) 1_565 3_465 ?
O2 Cs3 Cs2 133.4(2) . 2_664 ?
O4 Cs3 Cs2 74.15(18) 2_664 2_664 ?
O1 Cs3 Cs2 90.53(17) 1_565 2_664 ?
O9 Cs3 Cs2 111.72(18) 1_565 2_664 ?
O3 Cs3 Cs2 49.48(14) 2_664 2_664 ?
Ge3 Cs3 Cs2 65.09(10) 2_664 2_664 ?
O7 Cs3 Cs2 83.96(16) . 2_664 ?
Ge1 Cs3 Cs2 107.18(15) . 2_664 ?
Ge1 Cs3 Cs2 95.80(12) 1_565 2_664 ?
O3 Cs3 Cs2 158.74(15) 1_565 2_664 ?
Cs1 Cs3 Cs2 78.43(10) 3_465 2_664 ?
O8 Y1 O2 88.3(3) 4_554 2_664 ?
O8 Y1 O3 86.7(2) 4_554 2_654 ?
O2 Y1 O3 91.1(3) 2_664 2_654 ?
O8 Y1 O4 97.6(2) 4_554 2_664 ?
O2 Y1 O4 87.0(2) 2_664 2_664 ?
O3 Y1 O4 175.3(2) 2_654 2_664 ?
O8 Y1 O1 86.6(2) 4_554 . ?
O2 Y1 O1 172.2(2) 2_664 . ?
O3 Y1 O1 94.4(2) 2_654 . ?
O4 Y1 O1 87.9(2) 2_664 . ?
O8 Y1 O5 170.3(3) 4_554 2_654 ?
O2 Y1 O5 99.2(3) 2_664 2_654 ?
O3 Y1 O5 87.1(2) 2_654 2_654 ?
O4 Y1 O5 88.9(2) 2_664 2_654 ?
O1 Y1 O5 86.5(2) . 2_654 ?
O8 Y1 Cs1 125.79(17) 4_554 . ?
O2 Y1 Cs1 129.43(19) 2_664 . ?
O3 Y1 Cs1 123.02(18) 2_654 . ?
O4 Y1 Cs1 55.83(17) 2_664 . ?
O1 Y1 Cs1 50.77(16) . . ?
O5 Y1 Cs1 52.94(17) 2_654 . ?
O8 Y1 Cs3A 80.4(5) 4_554 1_545 ?
O2 Y1 Cs3A 139.6(4) 2_664 1_545 ?
O3 Y1 Cs3A 49.9(3) 2_654 1_545 ?
O4 Y1 Cs3A 132.8(3) 2_664 1_545 ?
O1 Y1 Cs3A 44.9(4) . 1_545 ?
O5 Y1 Cs3A 89.9(5) 2_654 1_545 ?
Cs1 Y1 Cs3A 87.1(5) . 1_545 ?
O8 Y1 Cs3 76.88(19) 4_554 1_545 ?
O2 Y1 Cs3 136.9(2) 2_664 1_545 ?
O3 Y1 Cs3 48.38(19) 2_654 1_545 ?
O4 Y1 Cs3 134.58(18) 2_664 1_545 ?
O1 Y1 Cs3 47.13(18) . 1_545 ?
O5 Y1 Cs3 93.45(19) 2_654 1_545 ?
Cs1 Y1 Cs3 90.65(9) . 1_545 ?
O8 Y1 Cs2 44.66(18) 4_554 2_654 ?
O2 Y1 Cs2 85.95(18) 2_664 2_654 ?
O3 Y1 Cs2 42.27(14) 2_654 2_654 ?
O4 Y1 Cs2 141.70(17) 2_664 2_654 ?
O1 Y1 Cs2 94.50(16) . 2_654 ?
O5 Y1 Cs2 129.36(17) 2_654 2_654 ?
Cs1 Y1 Cs2 144.58(3) . 2_654 ?
Cs3 Y1 Cs2 55.17(9) 1_545 2_654 ?
O8 Y1 Cs3A 84.1(5) 4_554 2_664 ?
O2 Y1 Cs3A 36.7(4) 2_664 2_664 ?
O3 Y1 Cs3A 54.5(3) 2_654 2_664 ?
O4 Y1 Cs3A 123.7(3) 2_664 2_664 ?
O1 Y1 Cs3A 148.0(4) . 2_664 ?
O5 Y1 Cs3A 98.3(4) 2_654 2_664 ?
Cs1 Y1 Cs3A 149.9(4) . 2_664 ?
Cs3 Y1 Cs3A 100.9(4) 1_545 2_664 ?
Cs2 Y1 Cs3A 58.1(5) 2_654 2_664 ?
O8 Y1 Cs2 145.94(18) 4_554 4_654 ?
O2 Y1 Cs2 61.63(19) 2_664 4_654 ?
O3 Y1 Cs2 108.13(14) 2_654 4_654 ?
O4 Y1 Cs2 67.17(17) 2_664 4_654 ?
O1 Y1 Cs2 121.33(15) . 4_654 ?
O5 Y1 Cs2 43.57(18) 2_654 4_654 ?
Cs1 Y1 Cs2 72.033(18) . 4_654 ?
Cs3 Y1 Cs2 135.84(6) 1_545 4_654 ?
Cs2 Y1 Cs2 137.89(3) 2_654 4_654 ?
O1 Ge1 O2 115.5(3) . . ?
O1 Ge1 O7 112.7(3) . . ?
O2 Ge1 O7 107.7(3) . . ?
O1 Ge1 O9 108.7(3) . . ?
O2 Ge1 O9 111.5(3) . . ?
O7 Ge1 O9 99.7(3) . . ?
O1 Ge1 Cs3A 54.5(4) . 1_545 ?
O2 Ge1 Cs3A 147.5(7) . 1_545 ?
O7 Ge1 Cs3A 104.3(7) . 1_545 ?
O9 Ge1 Cs3A 56.7(3) . 1_545 ?
O1 Ge1 Cs3 96.5(2) . . ?
O2 Ge1 Cs3 50.8(3) . . ?
O7 Ge1 Cs3 73.6(3) . . ?
O9 Ge1 Cs3 154.4(2) . . ?
O1 Ge1 Cs3 56.2(2) . 1_545 ?
O2 Ge1 Cs3 151.8(3) . 1_545 ?
O7 Ge1 Cs3 99.9(3) . 1_545 ?
O9 Ge1 Cs3 56.8(2) . 1_545 ?
Cs3 Ge1 Cs3 147.83(17) . 1_545 ?
O1 Ge1 Cs3A 95.6(3) . . ?
O2 Ge1 Cs3A 47.5(5) . . ?
O7 Ge1 Cs3A 78.0(6) . . ?
O9 Ge1 Cs3A 154.2(3) . . ?
Cs3A Ge1 Cs3A 149.0(4) 1_545 . ?
O1 Ge1 Cs2 163.0(2) . 3_455 ?
O2 Ge1 Cs2 81.3(2) . 3_455 ?
O7 Ge1 Cs2 60.9(2) . 3_455 ?
O9 Ge1 Cs2 59.9(2) . 3_455 ?
Cs3 Ge1 Cs2 96.41(6) . 3_455 ?
Cs3 Ge1 Cs2 107.98(6) 1_545 3_455 ?
O1 Ge1 Cs1 51.4(2) . . ?
O2 Ge1 Cs1 64.4(2) . . ?
O7 Ge1 Cs1 134.9(2) . . ?
O9 Ge1 Cs1 125.0(2) . . ?
Cs3A Ge1 Cs1 96.4(5) 1_545 . ?
Cs3 Ge1 Cs1 68.19(7) . . ?
Cs3 Ge1 Cs1 99.84(6) 1_545 . ?
Cs3A Ge1 Cs1 64.5(5) . . ?
Cs2 Ge1 Cs1 144.83(3) 3_455 . ?
O8 Ge2 O5 112.6(3) . . ?
O8 Ge2 O7 112.4(3) . 4_545 ?
O5 Ge2 O7 111.3(3) . 4_545 ?
O8 Ge2 O6 108.4(3) . . ?
O5 Ge2 O6 113.5(3) . . ?
O7 Ge2 O6 97.7(3) 4_545 . ?
O8 Ge2 Cs2 55.9(2) . 3_445 ?
O5 Ge2 Cs2 56.7(2) . 3_445 ?
O7 Ge2 Cs2 131.2(2) 4_545 3_445 ?
O6 Ge2 Cs2 130.9(3) . 3_445 ?
O8 Ge2 Cs1 47.3(2) . 3_455 ?
O5 Ge2 Cs1 100.2(2) . 3_455 ?
O7 Ge2 Cs1 148.1(2) 4_545 3_455 ?
O6 Ge2 Cs1 73.0(3) . 3_455 ?
Cs2 Ge2 Cs1 63.65(2) 3_445 3_455 ?
O8 Ge2 Cs1 119.3(2) . 2_655 ?
O5 Ge2 Cs1 39.6(2) . 2_655 ?
O7 Ge2 Cs1 73.4(3) 4_545 2_655 ?
O6 Ge2 Cs1 131.3(2) . 2_655 ?
Cs2 Ge2 Cs1 75.12(2) 3_445 2_655 ?
Cs1 Ge2 Cs1 135.58(3) 3_455 2_655 ?
O3 Ge3 O4 113.3(3) . . ?
O3 Ge3 O6 114.3(3) . . ?
O4 Ge3 O6 107.1(3) . . ?
O3 Ge3 O9 108.7(3) . . ?
O4 Ge3 O9 114.0(3) . . ?
O6 Ge3 O9 98.8(3) . . ?
O3 Ge3 Cs3A 63.2(4) . 2_665 ?
O4 Ge3 Cs3A 57.7(3) . 2_665 ?
O6 Ge3 Cs3A 103.5(7) . 2_665 ?
O9 Ge3 Cs3A 157.7(7) . 2_665 ?
O3 Ge3 Cs3 61.3(2) . 2_665 ?
O4 Ge3 Cs3 57.2(2) . 2_665 ?
O6 Ge3 Cs3 108.1(3) . 2_665 ?
O9 Ge3 Cs3 153.1(2) . 2_665 ?
O3 Ge3 Cs2 158.8(2) . 3_455 ?
O4 Ge3 Cs2 88.0(2) . 3_455 ?
O6 Ge3 Cs2 56.2(2) . 3_455 ?
O9 Ge3 Cs2 59.0(2) . 3_455 ?
Cs3 Ge3 Cs2 137.61(9) 2_665 3_455 ?
O3 Ge3 Cs3A 62.0(5) . 1_545 ?
O4 Ge3 Cs3A 136.4(4) . 1_545 ?
O6 Ge3 Cs3A 114.0(6) . 1_545 ?
O9 Ge3 Cs3A 46.8(4) . 1_545 ?
Cs3 Ge3 Cs3A 119.0(5) 2_665 1_545 ?
Cs2 Ge3 Cs3A 102.7(5) 3_455 1_545 ?
O3 Ge3 Cs2 43.3(2) . . ?
O4 Ge3 Cs2 84.5(2) . . ?
O6 Ge3 Cs2 157.4(2) . . ?
O9 Ge3 Cs2 93.8(2) . . ?
Cs3A Ge3 Cs2 65.8(6) 2_665 . ?
Cs3 Ge3 Cs2 61.39(10) 2_665 . ?
Cs2 Ge3 Cs2 145.42(3) 3_455 . ?
Cs3A Ge3 Cs2 62.8(5) 1_545 . ?
O3 Ge3 Cs3 64.6(3) . 1_545 ?
O4 Ge3 Cs3 138.7(2) . 1_545 ?
O6 Ge3 Cs3 110.8(3) . 1_545 ?
O9 Ge3 Cs3 44.6(2) . 1_545 ?
Cs3 Ge3 Cs3 122.43(4) 2_665 1_545 ?
Cs2 Ge3 Cs3 99.47(8) 3_455 1_545 ?
Cs2 Ge3 Cs3 66.42(6) . 1_545 ?
O3 Ge3 Cs1 121.3(2) . 2_665 ?
O4 Ge3 Cs1 42.1(2) . 2_665 ?
O6 Ge3 Cs1 66.4(3) . 2_665 ?
O9 Ge3 Cs1 129.7(2) . 2_665 ?
Cs3 Ge3 Cs1 63.54(9) 2_665 2_665 ?
Cs2 Ge3 Cs1 74.48(2) 3_455 2_665 ?
Cs2 Ge3 Cs1 118.39(3) . 2_665 ?
Cs3 Ge3 Cs1 173.94(8) 1_545 2_665 ?
Ge1 O1 Y1 133.3(3) . . ?
Ge1 O1 Cs1 101.9(3) . . ?
Y1 O1 Cs1 93.26(19) . . ?
Ge1 O1 Cs3A 97.7(4) . 1_545 ?
Y1 O1 Cs3A 102.9(5) . 1_545 ?
Cs1 O1 Cs3A 133.9(8) . 1_545 ?
Ge1 O1 Cs3 96.4(3) . 1_545 ?
Y1 O1 Cs3 100.4(2) . 1_545 ?
Cs1 O1 Cs3 138.9(2) . 1_545 ?
Ge3 O4 Y1 136.1(4) . 2_665 ?
Ge3 O4 Cs3 94.2(3) . 2_665 ?
Y1 O4 Cs3 125.4(3) 2_665 2_665 ?
Ge3 O4 Cs3A 93.6(4) . 2_665 ?
Y1 O4 Cs3A 127.7(5) 2_665 2_665 ?
Cs3 O4 Cs3A 5.5(7) 2_665 2_665 ?
Ge3 O4 Cs1 116.7(3) . 2_665 ?
Y1 O4 Cs1 88.3(2) 2_665 2_665 ?
Cs3 O4 Cs1 84.2(2) 2_665 2_665 ?
Ge3 O6 Ge2 129.3(4) . . ?
Ge3 O6 Cs2 96.0(3) . 3_455 ?
Ge2 O6 Cs2 127.8(3) . 3_455 ?
Ge2 O8 Y1 136.3(4) . 4_545 ?
Ge2 O8 Cs1 108.4(3) . 3_455 ?
Y1 O8 Cs1 111.7(2) 4_545 3_455 ?
Ge2 O8 Cs2 96.8(3) . 3_445 ?
Y1 O8 Cs2 105.2(2) 4_545 3_445 ?
Cs1 O8 Cs2 82.12(16) 3_455 3_445 ?
Ge3 O9 Ge1 126.7(3) . . ?
Ge3 O9 Cs3A 108.2(6) . 1_545 ?
Ge1 O9 Cs3A 94.1(4) . 1_545 ?
Ge3 O9 Cs3 111.9(3) . 1_545 ?
Ge1 O9 Cs3 94.4(2) . 1_545 ?
Ge3 O9 Cs2 93.0(2) . 3_455 ?
Ge1 O9 Cs2 91.5(3) . 3_455 ?
Cs3 O9 Cs2 143.2(2) 1_545 3_455 ?
Ge3 O9 Cs1 112.8(3) . 3_455 ?
Ge1 O9 Cs1 119.6(3) . 3_455 ?
Cs3 O9 Cs1 70.79(15) 1_545 3_455 ?
Cs2 O9 Cs1 74.74(12) 3_455 3_455 ?
Ge2 O5 Y1 137.3(3) . 2_655 ?
Ge2 O5 Cs1 119.4(3) . 2_655 ?
Y1 O5 Cs1 90.8(2) 2_655 2_655 ?
Ge2 O5 Cs2 96.0(2) . 3_445 ?
Y1 O5 Cs2 106.5(2) 2_655 3_445 ?
Cs1 O5 Cs2 102.66(18) 2_655 3_445 ?
Ge3 O3 Y1 138.2(3) . 2_655 ?
Ge3 O3 Cs2 113.9(3) . . ?
Y1 O3 Cs2 107.9(2) 2_655 . ?
Ge3 O3 Cs3 90.2(3) . 2_665 ?
Y1 O3 Cs3 99.3(2) 2_655 2_665 ?
Cs2 O3 Cs3 78.54(17) . 2_665 ?
Ge3 O3 Cs3A 88.3(4) . 2_665 ?
Y1 O3 Cs3A 97.6(4) 2_655 2_665 ?
Cs2 O3 Cs3A 83.7(7) . 2_665 ?
Cs3 O3 Cs3A 5.1(7) 2_665 2_665 ?
Ge3 O3 Cs3A 92.6(4) . 1_545 ?
Y1 O3 Cs3A 94.2(3) 2_655 1_545 ?
Cs2 O3 Cs3A 78.8(5) . 1_545 ?
Cs3 O3 Cs3A 156.3(5) 2_665 1_545 ?
Ge3 O3 Cs3 90.8(3) . 1_545 ?
Y1 O3 Cs3 93.6(2) 2_655 1_545 ?
Cs2 O3 Cs3 82.20(17) . 1_545 ?
Cs3 O3 Cs3 159.3(2) 2_665 1_545 ?
Ge2 O7 Ge1 127.7(4) 4_554 . ?
Ge2 O7 Cs2 131.8(3) 4_554 3_455 ?
Ge1 O7 Cs2 90.5(2) . 3_455 ?
Ge2 O7 Cs3 108.7(3) 4_554 . ?
Ge1 O7 Cs3 78.1(3) . . ?
Cs2 O7 Cs3 107.0(2) 3_455 . ?
Ge2 O7 Cs3A 111.5(5) 4_554 . ?
Ge1 O7 Cs3A 74.5(5) . . ?
Cs2 O7 Cs3A 106.0(3) 3_455 . ?
Ge1 O2 Y1 138.4(4) . 2_665 ?
Ge1 O2 Cs3A 106.1(7) . . ?
Y1 O2 Cs3A 115.3(6) 2_665 . ?
Ge1 O2 Cs3 102.0(3) . . ?
Y1 O2 Cs3 119.0(3) 2_665 . ?
Ge1 O2 Cs1 88.3(3) . . ?
Y1 O2 Cs1 102.5(2) 2_665 . ?
Cs3A O2 Cs1 79.0(6) . . ?
Cs3 O2 Cs1 82.45(19) . . ?
O2 Cs3A O1 144.8(12) . 1_565 ?
O2 Cs3A O4 89.6(4) . 2_664 ?
O1 Cs3A O4 113.6(5) 1_565 2_664 ?
O2 Cs3A O9 99.7(5) . 1_565 ?
O1 Cs3A O9 56.1(3) 1_565 1_565 ?
O4 Cs3A O9 169.7(6) 2_664 1_565 ?
O2 Cs3A O3 144.3(5) . 2_664 ?
O1 Cs3A O3 64.6(3) 1_565 2_664 ?
O4 Cs3A O3 54.7(3) 2_664 2_664 ?
O9 Cs3A O3 115.9(5) 1_565 2_664 ?
O2 Cs3A O3 59.3(5) . 1_565 ?
O1 Cs3A O3 86.1(7) 1_565 1_565 ?
O4 Cs3A O3 134.1(10) 2_664 1_565 ?
O9 Cs3A O3 50.3(4) 1_565 1_565 ?
O3 Cs3A O3 145.8(10) 2_664 1_565 ?
O2 Cs3A Ge3 116.8(5) . 2_664 ?
O1 Cs3A Ge3 85.3(4) 1_565 2_664 ?
O4 Cs3A Ge3 28.66(17) 2_664 2_664 ?
O9 Cs3A Ge3 141.1(5) 1_565 2_664 ?
O3 Cs3A Ge3 28.51(15) 2_664 2_664 ?
O3 Cs3A Ge3 140.7(11) 1_565 2_664 ?
O2 Cs3A Ge1 127.5(6) . 1_565 ?
O1 Cs3A Ge1 27.81(17) 1_565 1_565 ?
O4 Cs3A Ge1 140.6(5) 2_664 1_565 ?
O9 Cs3A Ge1 29.21(17) 1_565 1_565 ?
O3 Cs3A Ge1 87.5(3) 2_664 1_565 ?
O3 Cs3A Ge1 71.0(4) 1_565 1_565 ?
Ge3 Cs3A Ge1 111.9(4) 2_664 1_565 ?
O2 Cs3A Ge1 26.4(2) . . ?
O1 Cs3A Ge1 170.9(12) 1_565 . ?
O4 Cs3A Ge1 70.5(3) 2_664 . ?
O9 Cs3A Ge1 119.8(4) 1_565 . ?
O3 Cs3A Ge1 122.3(6) 2_664 . ?
O3 Cs3A Ge1 85.5(4) 1_565 . ?
Ge3 Cs3A Ge1 99.1(3) 2_664 . ?
Ge1 Cs3A Ge1 149.0(4) 1_565 . ?
O2 Cs3A O7 48.1(4) . . ?
O1 Cs3A O7 159.2(11) 1_565 . ?
O4 Cs3A O7 76.2(5) 2_664 . ?
O9 Cs3A O7 113.3(6) 1_565 . ?
O3 Cs3A O7 113.6(9) 2_664 . ?
O3 Cs3A O7 100.1(4) 1_565 . ?
Ge3 Cs3A O7 101.4(6) 2_664 . ?
Ge1 Cs3A O7 136.7(8) 1_565 . ?
Ge1 Cs3A O7 27.54(18) . . ?
O2 Cs3A Cs1 85.1(5) . 3_465 ?
O1 Cs3A Cs1 97.9(5) 1_565 3_465 ?
O4 Cs3A Cs1 129.9(11) 2_664 3_465 ?
O9 Cs3A Cs1 56.0(4) 1_565 3_465 ?
O3 Cs3A Cs1 116.1(10) 2_664 3_465 ?
O3 Cs3A Cs1 83.5(3) 1_565 3_465 ?
Ge3 Cs3A Cs1 135.7(10) 2_664 3_465 ?
Ge1 Cs3A Cs1 73.3(4) 1_565 3_465 ?
Ge1 Cs3A Cs1 84.6(5) . 3_465 ?
O7 Cs3A Cs1 63.5(5) . 3_465 ?
O2 Cs3A Cs1 56.3(4) . . ?
O1 Cs3A Cs1 117.3(10) 1_565 . ?
O4 Cs3A Cs1 51.9(4) 2_664 . ?
O9 Cs3A Cs1 130.8(11) 1_565 . ?
O3 Cs3A Cs1 95.5(5) 2_664 . ?
O3 Cs3A Cs1 82.2(7) 1_565 . ?
Ge3 Cs3A Cs1 68.1(3) 2_664 . ?
Ge1 Cs3A Cs1 134.0(11) 1_565 . ?
Ge1 Cs3A Cs1 58.1(3) . . ?
O7 Cs3A Cs1 83.4(3) . . ?
Cs1 Cs3A Cs1 140.8(4) 3_465 . ?

_refine_diff_density_max         1.631
_refine_diff_density_min         -1.404
_refine_diff_density_rms         0.220

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

data_1_a
_database_code_depnum_ccdc_archive 'CCDC 2293197'
loop_
_audit_author_name
_audit_author_address
'Conggang Li'
;Tianjin University of Technology
China
;
_audit_update_record             
;
2023-09-06 deposited with the CCDC.	2023-10-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cs3 Gd Ge3 O9'
_chemical_formula_weight         917.75

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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'

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

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

_cell_length_a                   13.908(3)
_cell_length_b                   7.1769(17)
_cell_length_c                   12.826(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1280.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    4589
_cell_measurement_theta_min      3.18
_cell_measurement_theta_max      27.41

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    4.761
_exptl_crystal_F_000             1588
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    20.518
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.20
_exptl_absorpt_correction_T_max  0.41
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8367
_diffrn_reflns_av_unetI/netI     0.0625
_diffrn_reflns_av_R_equivalents  0.0720
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.929
_diffrn_reflns_theta_max         24.706
_diffrn_reflns_theta_full        24.706
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.857
_diffrn_reflns_point_group_measured_fraction_full 0.857
_reflns_number_total             1876
_reflns_number_gt                1791
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.633
_reflns_Friedel_fraction_max     0.700
_reflns_Friedel_fraction_full    0.700

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0673P)²+31.8865P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 632 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         1876
_refine_ls_number_parameters     157
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0505
_refine_ls_wR_factor_ref         0.1299
_refine_ls_wR_factor_gt          0.1281
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_restrained_S_all      1.109
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.46151(8) 1.34708(16) 0.74532(13) 0.0111(3) Uani 1 1 d . . . . .
Cs1 Cs 0.4378(6) 0.1066(5) 0.4259(4) 0.0549(19) Uani 0.835(16) 1 d . . P . .
Cs1A Cs 0.490(3) 0.095(3) 0.452(2) 0.0549(19) Uani 0.165(16) 1 d . . P . .
Cs2 Cs 0.17198(16) 1.0453(4) 0.4889(2) 0.0433(8) Uani 0.892(5) 1 d . . P . .
Cs2A Cs 0.1591(15) 0.880(4) 0.541(2) 0.0433(8) Uani 0.108(5) 1 d . . P . .
Cs3 Cs 0.1774(2) 0.5513(5) 0.6445(3) 0.0548(11) Uani 0.908(8) 1 d . . P . .
Cs3A Cs 0.158(2) 0.558(4) 0.715(3) 0.0548(11) Uani 0.092(8) 1 d . . P . .
Ge1 Ge 0.3947(2) 0.8468(4) 0.7073(2) 0.0137(7) Uani 1 1 d . . . . .
Ge2 Ge 0.41007(19) 0.6054(4) 0.4978(2) 0.0131(6) Uani 1 1 d . . . . .
Ge3 Ge 0.27499(19) 0.6079(4) 0.2956(3) 0.0159(7) Uani 1 1 d . . . . .
O1 O 0.4695(12) 1.035(3) 0.7089(18) 0.024(5) Uani 1 1 d . . . . .
O2 O 0.4383(16) 0.657(3) 0.7766(17) 0.022(5) Uani 1 1 d . . . . .
O3 O 0.3643(14) 0.787(3) 0.5768(17) 0.023(4) Uani 1 1 d . . . . .
O4 O 0.4398(15) 0.414(3) 0.5735(19) 0.026(5) Uani 1 1 d . . . . .
O5 O 0.3069(16) 0.541(3) 0.428(2) 0.033(6) Uani 1 1 d . . . . .
O6 O 0.3730(15) 0.640(3) 0.2168(18) 0.031(6) Uani 1 1 d . U . . .
O7 O 0.2196(15) 0.390(3) 0.259(2) 0.041(7) Uani 1 1 d . . . . .
O8 O 0.1979(13) 0.800(3) 0.2950(18) 0.022(4) Uani 1 1 d . U . . .
O9 O 0.5050(15) 0.690(3) 0.4205(16) 0.023(5) Uani 1 1 d . U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd1 O4 2.28(2) 1_565 ?
Gd1 O2 2.286(19) 1_565 ?
Gd1 O1 2.29(2) . ?
Gd1 O9 2.31(2) 2_675 ?
Gd1 O8 2.331(19) 4 ?
Gd1 O6 2.33(2) 2_675 ?
Gd1 Cs2 3.903(3) 4 ?
Gd1 Cs3A 4.01(3) 3_565 ?
Gd1 Cs2A 4.15(2) 4 ?
Gd1 Cs1A 4.18(2) 2_665 ?
Gd1 Cs1A 4.20(2) 1_565 ?
Gd1 Cs1 4.234(4) 2_665 ?
Cs1 Cs1A 0.80(4) . ?
Cs1 O4 2.91(2) . ?
Cs1 Cs3A 3.03(4) 4_544 ?
Cs1 O2 3.08(2) 2_664 ?
Cs1 O9 3.13(2) 1_545 ?
Cs1 O3 3.17(2) 1_545 ?
Cs1 O1 3.23(2) 2_664 ?
Cs1 O5 3.61(2) . ?
Cs1 Ge1 3.660(5) 2_664 ?
Cs1 O1 3.69(2) 1_545 ?
Cs1 Ge2 3.717(4) . ?
Cs1 Ge2 3.734(5) 1_545 ?
Cs1A O4 2.86(3) . ?
Cs1A O9 2.94(3) 1_545 ?
Cs1A O2 3.03(3) 2_664 ?
Cs1A O3 3.24(3) 1_545 ?
Cs1A O1 3.30(3) 2_664 ?
Cs1A O1 3.34(4) 1_545 ?
Cs1A Ge1 3.54(2) 2_664 ?
Cs1A Cs2 3.65(3) 3_565 ?
Cs1A Cs3A 3.67(6) 4_544 ?
Cs1A Ge2 3.73(2) 1_545 ?
Cs1A Cs3 3.74(4) 3 ?
Cs2 Cs2A 1.37(3) . ?
Cs2 O9 3.00(2) 3_465 ?
Cs2 O6 3.07(2) 4 ?
Cs2 O8 3.07(2) . ?
Cs2 O2 3.23(2) 4_554 ?
Cs2 O4 3.42(2) 3_465 ?
Cs2 O3 3.44(2) . ?
Cs2 Ge2 3.801(4) 3_465 ?
Cs2 Ge3 4.028(4) 4 ?
Cs2A O9 2.69(3) 3_465 ?
Cs2A Cs3 2.72(3) . ?
Cs2A O6 2.97(3) 4 ?
Cs2A O3 2.97(3) . ?
Cs2A Cs3A 3.21(5) . ?
Cs2A O8 3.25(3) . ?
Cs2A O7 3.27(4) 4 ?
Cs2A O4 3.42(3) 3_465 ?
Cs2A O5 3.49(3) . ?
Cs2A Ge2 3.51(2) 3_465 ?
Cs2A Ge3 3.77(2) 4 ?
Cs3 Cs3A 0.95(4) . ?
Cs3 O1 3.070(18) 3_465 ?
Cs3 O8 3.16(2) 4_545 ?
Cs3 O6 3.17(2) 4_545 ?
Cs3 O7 3.18(2) 4 ?
Cs3 O3 3.22(2) . ?
Cs3 O5 3.31(3) . ?
Cs3 Ge2 3.763(4) . ?
Cs3 Ge1 3.779(4) . ?
Cs3 Ge3 3.784(5) 4_545 ?
Cs3A O1 2.70(3) 3_465 ?
Cs3A O8 2.92(4) 4_545 ?
Cs3A O7 2.98(4) 4 ?
Cs3A O6 3.03(4) 4_545 ?
Cs3A Ge3 3.52(3) 4_545 ?
Cs3A Ge1 3.72(3) 3_465 ?
Cs3A O3 3.75(4) . ?
Cs3A O2 3.75(4) 3_465 ?
Ge1 O1 1.71(2) . ?
Ge1 O2 1.73(2) . ?
Ge1 O7 1.75(2) 4 ?
Ge1 O3 1.78(2) . ?
Ge2 O4 1.73(2) . ?
Ge2 O5 1.75(2) . ?
Ge2 O9 1.76(2) . ?
Ge2 O3 1.769(19) . ?
Ge3 O6 1.71(2) . ?
Ge3 O8 1.746(19) . ?
Ge3 O7 1.80(2) . ?
Ge3 O5 1.82(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Gd1 O2 86.9(8) 1_565 1_565 ?
O4 Gd1 O1 90.8(8) 1_565 . ?
O2 Gd1 O1 174.4(7) 1_565 . ?
O4 Gd1 O9 173.2(8) 1_565 2_675 ?
O2 Gd1 O9 88.3(8) 1_565 2_675 ?
O1 Gd1 O9 94.4(8) . 2_675 ?
O4 Gd1 O8 99.7(8) 1_565 4 ?
O2 Gd1 O8 87.7(7) 1_565 4 ?
O1 Gd1 O8 87.7(7) . 4 ?
O9 Gd1 O8 84.8(8) 2_675 4 ?
O4 Gd1 O6 88.3(8) 1_565 2_675 ?
O2 Gd1 O6 97.4(8) 1_565 2_675 ?
O1 Gd1 O6 87.6(7) . 2_675 ?
O9 Gd1 O6 87.6(8) 2_675 2_675 ?
O8 Gd1 O6 170.8(8) 4 2_675 ?
O4 Gd1 Cs2 129.4(5) 1_565 4 ?
O2 Gd1 Cs2 55.8(5) 1_565 4 ?
O1 Gd1 Cs2 122.9(5) . 4 ?
O9 Gd1 Cs2 50.1(6) 2_675 4 ?
O8 Gd1 Cs2 51.8(5) 4 4 ?
O6 Gd1 Cs2 125.5(6) 2_675 4 ?
O4 Gd1 Cs3A 98.6(8) 1_565 3_565 ?
O2 Gd1 Cs3A 145.1(8) 1_565 3_565 ?
O1 Gd1 Cs3A 40.3(6) . 3_565 ?
O9 Gd1 Cs3A 82.7(8) 2_675 3_565 ?
O8 Gd1 Cs3A 124.7(7) 4 3_565 ?
O6 Gd1 Cs3A 48.8(8) 2_675 3_565 ?
Cs2 Gd1 Cs3A 131.8(6) 4 3_565 ?
O4 Gd1 Cs2A 144.9(6) 1_565 4 ?
O2 Gd1 Cs2A 74.2(7) 1_565 4 ?
O1 Gd1 Cs2A 105.1(7) . 4 ?
O9 Gd1 Cs2A 36.9(6) 2_675 4 ?
O8 Gd1 Cs2A 51.3(6) 4 4 ?
O6 Gd1 Cs2A 122.7(7) 2_675 4 ?
Cs2 Gd1 Cs2A 19.3(4) 4 4 ?
Cs3A Gd1 Cs2A 113.9(7) 3_565 4 ?
O4 Gd1 Cs1A 142.5(7) 1_565 2_665 ?
O2 Gd1 Cs1A 130.6(7) 1_565 2_665 ?
O1 Gd1 Cs1A 51.7(7) . 2_665 ?
O9 Gd1 Cs1A 42.7(6) 2_675 2_665 ?
O8 Gd1 Cs1A 82.6(8) 4 2_665 ?
O6 Gd1 Cs1A 88.3(8) 2_675 2_665 ?
Cs2 Gd1 Cs1A 81.2(5) 4 2_665 ?
Cs3A Gd1 Cs1A 53.2(8) 3_565 2_665 ?
Cs2A Gd1 Cs1A 62.0(7) 4 2_665 ?
O4 Gd1 Cs1A 40.0(7) 1_565 1_565 ?
O2 Gd1 Cs1A 126.2(7) 1_565 1_565 ?
O1 Gd1 Cs1A 52.4(7) . 1_565 ?
O9 Gd1 Cs1A 143.5(7) 2_675 1_565 ?
O8 Gd1 Cs1A 105.8(7) 4 1_565 ?
O6 Gd1 Cs1A 77.5(8) 2_675 1_565 ?
Cs2 Gd1 Cs1A 157.0(6) 4 1_565 ?
Cs3A Gd1 Cs1A 62.3(8) 3_565 1_565 ?
Cs2A Gd1 Cs1A 151.8(5) 4 1_565 ?
Cs1A Gd1 Cs1A 103.01(13) 2_665 1_565 ?
O4 Gd1 Cs1 137.4(6) 1_565 2_665 ?
O2 Gd1 Cs1 134.4(5) 1_565 2_665 ?
O1 Gd1 Cs1 49.0(6) . 2_665 ?
O9 Gd1 Cs1 46.6(6) 2_675 2_665 ?
O8 Gd1 Cs1 93.1(5) 4 2_665 ?
O6 Gd1 Cs1 77.9(6) 2_675 2_665 ?
Cs2 Gd1 Cs1 89.99(13) 4 2_665 ?
Cs3A Gd1 Cs1 43.1(6) 3_565 2_665 ?
Cs2A Gd1 Cs1 71.2(4) 4 2_665 ?
Cs1A Gd1 Cs1 10.9(5) 2_665 2_665 ?
Cs1A Gd1 Cs1 97.3(4) 1_565 2_665 ?
Cs1A Cs1 O4 78.8(16) . . ?
Cs1A Cs1 Cs3A 138.7(18) . 4_544 ?
O4 Cs1 Cs3A 132.2(8) . 4_544 ?
Cs1A Cs1 O2 79.0(17) . 2_664 ?
O4 Cs1 O2 89.0(6) . 2_664 ?
Cs3A Cs1 O2 75.8(8) 4_544 2_664 ?
Cs1A Cs1 O9 68.6(16) . 1_545 ?
O4 Cs1 O9 137.3(6) . 1_545 ?
Cs3A Cs1 O9 90.1(7) 4_544 1_545 ?
O2 Cs1 O9 110.1(6) 2_664 1_545 ?
Cs1A Cs1 O3 87.8(17) . 1_545 ?
O4 Cs1 O3 98.9(6) . 1_545 ?
Cs3A Cs1 O3 108.7(8) 4_544 1_545 ?
O2 Cs1 O3 163.1(6) 2_664 1_545 ?
O9 Cs1 O3 54.5(5) 1_545 1_545 ?
Cs1A Cs1 O1 87.6(17) . 2_664 ?
O4 Cs1 O1 142.8(6) . 2_664 ?
Cs3A Cs1 O1 51.0(6) 4_544 2_664 ?
O2 Cs1 O1 54.2(5) 2_664 2_664 ?
O9 Cs1 O1 64.0(5) 1_545 2_664 ?
O3 Cs1 O1 115.2(5) 1_545 2_664 ?
Cs1A Cs1 O5 123.2(15) . . ?
O4 Cs1 O5 49.0(5) . . ?
Cs3A Cs1 O5 83.4(7) 4_544 . ?
O2 Cs1 O5 79.2(5) 2_664 . ?
O9 Cs1 O5 167.0(6) 1_545 . ?
O3 Cs1 O5 117.2(5) 1_545 . ?
O1 Cs1 O5 118.7(6) 2_664 . ?
Cs1A Cs1 Ge1 75.4(17) . 2_664 ?
O4 Cs1 Ge1 115.1(5) . 2_664 ?
Cs3A Cs1 Ge1 66.8(6) 4_544 2_664 ?
O2 Cs1 Ge1 28.2(4) 2_664 2_664 ?
O9 Cs1 Ge1 83.1(4) 1_545 2_664 ?
O3 Cs1 Ge1 137.6(4) 1_545 2_664 ?
O1 Cs1 Ge1 27.8(3) 2_664 2_664 ?
O5 Cs1 Ge1 104.4(4) . 2_664 ?
Cs1A Cs1 O1 58.2(17) . 1_545 ?
O4 Cs1 O1 57.6(6) . 1_545 ?
Cs3A Cs1 O1 155.9(8) 4_544 1_545 ?
O2 Cs1 O1 128.3(5) 2_664 1_545 ?
O9 Cs1 O1 81.6(5) 1_545 1_545 ?
O3 Cs1 O1 48.6(5) 1_545 1_545 ?
O1 Cs1 O1 139.0(3) 2_664 1_545 ?
O5 Cs1 O1 99.9(5) . 1_545 ?
Ge1 Cs1 O1 133.6(4) 2_664 1_545 ?
Cs1A Cs1 Ge2 95.5(15) . . ?
O4 Cs1 Ge2 27.0(5) . . ?
Cs3A Cs1 Ge2 106.6(6) 4_544 . ?
O2 Cs1 Ge2 71.5(4) 2_664 . ?
O9 Cs1 Ge2 162.8(5) 1_545 . ?
O3 Cs1 Ge2 120.8(4) 1_545 . ?
O1 Cs1 Ge2 124.0(4) 2_664 . ?
O5 Cs1 Ge2 27.6(3) . . ?
Ge1 Cs1 Ge2 99.69(10) 2_664 . ?
O1 Cs1 Ge2 84.4(4) 1_545 . ?
Cs1A Cs1 Ge2 83.5(15) . 1_545 ?
O4 Cs1 Ge2 124.8(5) . 1_545 ?
Cs3A Cs1 Ge2 93.7(6) 4_544 1_545 ?
O2 Cs1 Ge2 137.8(4) 2_664 1_545 ?
O9 Cs1 Ge2 28.0(4) 1_545 1_545 ?
O3 Cs1 Ge2 28.2(3) 1_545 1_545 ?
O1 Cs1 Ge2 87.2(4) 2_664 1_545 ?
O5 Cs1 Ge2 141.1(4) . 1_545 ?
Ge1 Cs1 Ge2 110.06(13) 2_664 1_545 ?
O1 Cs1 Ge2 68.6(3) 1_545 1_545 ?
Ge2 Cs1 Ge2 148.85(14) . 1_545 ?
Cs1 Cs1A O4 85.2(17) . . ?
Cs1 Cs1A O9 96.7(19) . 1_545 ?
O4 Cs1A O9 152.0(11) . 1_545 ?
Cs1 Cs1A O2 86.0(19) . 2_664 ?
O4 Cs1A O2 90.8(8) . 2_664 ?
O9 Cs1A O2 117.1(9) 1_545 2_664 ?
Cs1 Cs1A O3 77.9(17) . 1_545 ?
O4 Cs1A O3 98.2(9) . 1_545 ?
O9 Cs1A O3 55.4(6) 1_545 1_545 ?
O2 Cs1A O3 160.7(16) 2_664 1_545 ?
Cs1 Cs1A O1 78.3(19) . 2_664 ?
O4 Cs1A O1 141.6(12) . 2_664 ?
O9 Cs1A O1 65.2(7) 1_545 2_664 ?
O2 Cs1A O1 53.9(6) 2_664 2_664 ?
O3 Cs1A O1 111.6(9) 1_545 2_664 ?
Cs1 Cs1A O1 110.1(19) . 1_545 ?
O4 Cs1A O1 62.7(8) . 1_545 ?
O9 Cs1A O1 90.8(9) 1_545 1_545 ?
O2 Cs1A O1 146.5(11) 2_664 1_545 ?
O3 Cs1A O1 51.5(6) 1_545 1_545 ?
O1 Cs1A O1 155.7(8) 2_664 1_545 ?
Cs1 Cs1A Ge1 91.9(19) . 2_664 ?
O4 Cs1A Ge1 119.9(8) . 2_664 ?
O9 Cs1A Ge1 88.0(7) 1_545 2_664 ?
O2 Cs1A Ge1 29.3(4) 2_664 2_664 ?
O3 Cs1A Ge1 139.7(8) 1_545 2_664 ?
O1 Cs1A Ge1 28.6(4) 2_664 2_664 ?
O1 Cs1A Ge1 158.0(15) 1_545 2_664 ?
Cs1 Cs1A Cs2 127.2(18) . 3_565 ?
O4 Cs1A Cs2 62.0(7) . 3_565 ?
O9 Cs1A Cs2 131.9(14) 1_545 3_565 ?
O2 Cs1A Cs2 56.9(6) 2_664 3_565 ?
O3 Cs1A Cs2 142.3(12) 1_545 3_565 ?
O1 Cs1A Cs2 101.8(7) 2_664 3_565 ?
O1 Cs1A Cs2 91.1(9) 1_545 3_565 ?
Ge1 Cs1A Cs2 73.6(5) 2_664 3_565 ?
Cs1 Cs1A Cs3A 33.1(16) . 4_544 ?
O4 Cs1A Cs3A 111.8(14) . 4_544 ?
O9 Cs1A Cs3A 81.8(10) 1_545 4_544 ?
O2 Cs1A Cs3A 67.3(10) 2_664 4_544 ?
O3 Cs1A Cs3A 93.4(12) 1_545 4_544 ?
O1 Cs1A Cs3A 45.3(7) 2_664 4_544 ?
O1 Cs1A Cs3A 139.4(13) 1_545 4_544 ?
Ge1 Cs1A Cs3A 62.1(8) 2_664 4_544 ?
Cs2 Cs1A Cs3A 123.1(9) 3_565 4_544 ?
Cs1 Cs1A Ge2 84.2(16) . 1_545 ?
O4 Cs1A Ge2 126.5(8) . 1_545 ?
O9 Cs1A Ge2 27.4(5) 1_545 1_545 ?
O2 Cs1A Ge2 140.2(9) 2_664 1_545 ?
O3 Cs1A Ge2 28.3(4) 1_545 1_545 ?
O1 Cs1A Ge2 86.3(6) 2_664 1_545 ?
O1 Cs1A Ge2 72.4(6) 1_545 1_545 ?
Ge1 Cs1A Ge2 112.8(5) 2_664 1_545 ?
Cs2 Cs1A Ge2 148.5(13) 3_565 1_545 ?
Cs3A Cs1A Ge2 84.2(9) 4_544 1_545 ?
Cs1 Cs1A Cs3 158.8(19) . 3 ?
O4 Cs1A Cs3 91.8(10) . 3 ?
O9 Cs1A Cs3 76.3(9) 1_545 3 ?
O2 Cs1A Cs3 115.1(12) 2_664 3 ?
O3 Cs1A Cs3 81.8(8) 1_545 3 ?
O1 Cs1A Cs3 115.2(10) 2_664 3 ?
O1 Cs1A Cs3 51.0(6) 1_545 3 ?
Ge1 Cs1A Cs3 107.6(10) 2_664 3 ?
Cs2 Cs1A Cs3 68.2(7) 3_565 3 ?
Cs3A Cs1A Cs3 156.3(8) 4_544 3 ?
Ge2 Cs1A Cs3 80.7(6) 1_545 3 ?
Cs2A Cs2 O9 63.4(10) . 3_465 ?
Cs2A Cs2 O6 72.9(11) . 4 ?
O9 Cs2 O6 104.2(6) 3_465 4 ?
Cs2A Cs2 O8 84.8(11) . . ?
O9 Cs2 O8 62.1(5) 3_465 . ?
O6 Cs2 O8 157.6(6) 4 . ?
Cs2A Cs2 O2 124.1(10) . 4_554 ?
O9 Cs2 O2 61.7(6) 3_465 4_554 ?
O6 Cs2 O2 130.7(6) 4 4_554 ?
O8 Cs2 O2 61.0(5) . 4_554 ?
Cs2A Cs2 O4 78.3(10) . 3_465 ?
O9 Cs2 O4 53.9(5) 3_465 3_465 ?
O6 Cs2 O4 59.1(6) 4 3_465 ?
O8 Cs2 O4 114.7(5) . 3_465 ?
O2 Cs2 O4 78.3(6) 4_554 3_465 ?
Cs2A Cs2 O3 58.5(10) . . ?
O9 Cs2 O3 113.2(6) 3_465 . ?
O6 Cs2 O3 88.1(5) 4 . ?
O8 Cs2 O3 82.3(5) . . ?
O2 Cs2 O3 141.2(5) 4_554 . ?
O4 Cs2 O3 132.5(5) 3_465 . ?
Cs2A Cs2 Cs1A 125.9(10) . 3_465 ?
O9 Cs2 Cs1A 79.8(7) 3_465 3_465 ?
O6 Cs2 Cs1A 80.0(6) 4 3_465 ?
O8 Cs2 Cs1A 112.4(6) . 3_465 ?
O2 Cs2 Cs1A 51.9(6) 4_554 3_465 ?
O4 Cs2 Cs1A 47.6(6) 3_465 3_465 ?
O3 Cs2 Cs1A 164.3(7) . 3_465 ?
Cs2A Cs2 Ge2 67.3(9) . 3_465 ?
O9 Cs2 Ge2 26.8(4) 3_465 3_465 ?
O6 Cs2 Ge2 80.7(4) 4 3_465 ?
O8 Cs2 Ge2 88.5(4) . 3_465 ?
O2 Cs2 Ge2 69.0(4) 4_554 3_465 ?
O4 Cs2 Ge2 27.1(4) 3_465 3_465 ?
O3 Cs2 Ge2 125.5(4) . 3_465 ?
Cs1A Cs2 Ge2 62.7(5) 3_465 3_465 ?
Cs2A Cs2 Cs1 109.2(9) . 1_565 ?
O9 Cs2 Cs1 138.9(4) 3_465 1_565 ?
O6 Cs2 Cs1 112.0(4) 4 1_565 ?
O8 Cs2 Cs1 77.3(4) . 1_565 ?
O2 Cs2 Cs1 104.7(4) 4_554 1_565 ?
O4 Cs2 Cs1 166.9(4) 3_465 1_565 ?
O3 Cs2 Cs1 51.5(4) . 1_565 ?
Cs1A Cs2 Cs1 124.3(4) 3_465 1_565 ?
Ge2 Cs2 Cs1 165.72(12) 3_465 1_565 ?
Cs2A Cs2 Gd1 90.5(10) . 4_544 ?
O9 Cs2 Gd1 36.2(4) 3_465 4_544 ?
O6 Cs2 Gd1 138.3(4) 4 4_544 ?
O8 Cs2 Gd1 36.7(4) . 4_544 ?
O2 Cs2 Gd1 35.8(3) 4_554 4_544 ?
O4 Cs2 Gd1 80.6(4) 3_465 4_544 ?
O3 Cs2 Gd1 115.8(4) . 4_544 ?
Cs1A Cs2 Gd1 79.8(6) 3_465 4_544 ?
Ge2 Cs2 Gd1 57.63(6) 3_465 4_544 ?
Cs1 Cs2 Gd1 109.50(11) 1_565 4_544 ?
Cs2A Cs2 Ge3 69.5(10) . 4 ?
O9 Cs2 Ge3 119.3(4) 3_465 4 ?
O6 Cs2 Ge3 23.3(4) 4 4 ?
O8 Cs2 Ge3 146.5(4) . 4 ?
O2 Cs2 Ge3 152.0(4) 4_554 4 ?
O4 Cs2 Ge3 81.6(4) 3_465 4 ?
O3 Cs2 Ge3 66.3(3) . 4 ?
Cs1A Cs2 Ge3 100.1(5) 3_465 4 ?
Ge2 Cs2 Ge3 100.24(9) 3_465 4 ?
Cs1 Cs2 Ge3 90.95(11) 1_565 4 ?
Gd1 Cs2 Ge3 155.46(9) 4_544 4 ?
Cs2 Cs2A O9 89.3(12) . 3_465 ?
Cs2 Cs2A Cs3 167.1(13) . . ?
O9 Cs2A Cs3 101.3(10) 3_465 . ?
Cs2 Cs2A O6 80.9(12) . 4 ?
O9 Cs2A O6 115.7(9) 3_465 4 ?
Cs3 Cs2A O6 100.8(9) . 4 ?
Cs2 Cs2A O3 98.3(12) . . ?
O9 Cs2A O3 144.7(11) 3_465 . ?
Cs3 Cs2A O3 68.8(7) . . ?
O6 Cs2A O3 99.6(9) 4 . ?
Cs2 Cs2A Cs3A 163.4(15) . . ?
O9 Cs2A Cs3A 105.2(11) 3_465 . ?
Cs3 Cs2A Cs3A 15.7(7) . . ?
O6 Cs2A Cs3A 85.5(11) 4 . ?
O3 Cs2A Cs3A 74.7(9) . . ?
Cs2 Cs2A O8 70.3(11) . . ?
O9 Cs2A O8 62.9(7) 3_465 . ?
Cs3 Cs2A O8 107.9(9) . . ?
O6 Cs2A O8 151.0(12) 4 . ?
O3 Cs2A O8 87.3(8) . . ?
Cs3A Cs2A O8 123.4(11) . . ?
Cs2 Cs2A O7 109.0(12) . 4 ?
O9 Cs2A O7 155.1(11) 3_465 4 ?
Cs3 Cs2A O7 63.4(7) . 4 ?
O6 Cs2A O7 53.9(7) 4 4 ?
O3 Cs2A O7 51.3(7) . 4 ?
Cs3A Cs2A O7 54.8(9) . 4 ?
O8 Cs2A O7 138.5(9) . 4 ?
Cs2 Cs2A O4 78.5(11) . 3_465 ?
O9 Cs2A O4 55.9(7) 3_465 3_465 ?
Cs3 Cs2A O4 113.5(9) . 3_465 ?
O6 Cs2A O4 59.9(7) 4 3_465 ?
O3 Cs2A O4 159.4(10) . 3_465 ?
Cs3A Cs2A O4 102.7(10) . 3_465 ?
O8 Cs2A O4 110.2(9) . 3_465 ?
O7 Cs2A O4 110.1(9) 4 3_465 ?
Cs2 Cs2A O5 109.0(12) . . ?
O9 Cs2A O5 96.0(9) 3_465 . ?
Cs3 Cs2A O5 62.9(7) . . ?
O6 Cs2A O5 147.2(10) 4 . ?
O3 Cs2A O5 48.9(6) . . ?
Cs3A Cs2A O5 78.0(10) . . ?
O8 Cs2A O5 51.6(6) . . ?
O7 Cs2A O5 93.8(8) 4 . ?
O4 Cs2A O5 151.4(9) 3_465 . ?
Cs2 Cs2A Ge2 91.6(10) . 3_465 ?
O9 Cs2A Ge2 29.3(5) 3_465 3_465 ?
Cs3 Cs2A Ge2 101.3(7) . 3_465 ?
O6 Cs2A Ge2 87.2(7) 4 3_465 ?
O3 Cs2A Ge2 168.8(11) . 3_465 ?
Cs3A Cs2A Ge2 97.2(8) . 3_465 ?
O8 Cs2A Ge2 91.0(7) . 3_465 ?
O7 Cs2A Ge2 129.9(8) 4 3_465 ?
O4 Cs2A Ge2 28.9(4) 3_465 3_465 ?
O5 Cs2A Ge2 122.6(7) . 3_465 ?
Cs2 Cs2A Ge3 90.6(11) . 4 ?
O9 Cs2A Ge3 140.5(9) 3_465 4 ?
Cs3 Cs2A Ge3 85.9(6) . 4 ?
O6 Cs2A Ge3 26.1(5) 4 4 ?
O3 Cs2A Ge3 74.2(6) . 4 ?
Cs3A Cs2A Ge3 73.1(8) . 4 ?
O8 Cs2A Ge3 151.3(9) . 4 ?
O7 Cs2A Ge3 28.5(4) 4 4 ?
O4 Cs2A Ge3 85.5(7) 3_465 4 ?
O5 Cs2A Ge3 121.1(7) . 4 ?
Ge2 Cs2A Ge3 111.2(6) 3_465 4 ?
Cs3A Cs3 Cs2A 113(2) . . ?
Cs3A Cs3 O1 58.8(18) . 3_465 ?
Cs2A Cs3 O1 102.6(6) . 3_465 ?
Cs3A Cs3 O8 67(2) . 4_545 ?
Cs2A Cs3 O8 147.7(6) . 4_545 ?
O1 Cs3 O8 103.7(5) 3_465 4_545 ?
Cs3A Cs3 O6 73(2) . 4_545 ?
Cs2A Cs3 O6 158.2(6) . 4_545 ?
O1 Cs3 O6 61.6(6) 3_465 4_545 ?
O8 Cs3 O6 54.0(5) 4_545 4_545 ?
Cs3A Cs3 O7 69.4(18) . 4 ?
Cs2A Cs3 O7 66.9(7) . 4 ?
O1 Cs3 O7 117.0(6) 3_465 4 ?
O8 Cs3 O7 84.7(6) 4_545 4 ?
O6 Cs3 O7 132.5(7) 4_545 4 ?
Cs3A Cs3 O3 117.6(17) . . ?
Cs2A Cs3 O3 59.2(6) . . ?
O1 Cs3 O3 159.9(5) 3_465 . ?
O8 Cs3 O3 91.2(5) 4_545 . ?
O6 Cs3 O3 138.2(5) 4_545 . ?
O7 Cs3 O3 50.2(6) 4 . ?
Cs3A Cs3 O5 163.7(19) . . ?
Cs2A Cs3 O5 70.1(6) . . ?
O1 Cs3 O5 137.2(6) 3_465 . ?
O8 Cs3 O5 101.6(5) 4_545 . ?
O6 Cs3 O5 110.2(6) 4_545 . ?
O7 Cs3 O5 99.2(6) 4 . ?
O3 Cs3 O5 49.2(5) . . ?
Cs3A Cs3 Cs1A 116.5(19) . 3_455 ?
Cs2A Cs3 Cs1A 81.5(6) . 3_455 ?
O1 Cs3 Cs1A 57.7(6) 3_465 3_455 ?
O8 Cs3 Cs1A 128.8(5) 4_545 3_455 ?
O6 Cs3 Cs1A 77.2(5) 4_545 3_455 ?
O7 Cs3 Cs1A 146.4(6) 4 3_455 ?
O3 Cs3 Cs1A 122.0(5) . 3_455 ?
O5 Cs3 Cs1A 79.5(5) . 3_455 ?
Cs3A Cs3 Ge2 136.1(18) . . ?
Cs2A Cs3 Ge2 75.3(5) . . ?
O1 Cs3 Ge2 164.8(5) 3_465 . ?
O8 Cs3 Ge2 83.8(4) 4_545 . ?
O6 Cs3 Ge2 115.6(4) 4_545 . ?
O7 Cs3 Ge2 76.4(4) 4 . ?
O3 Cs3 Ge2 28.0(3) . . ?
O5 Cs3 Ge2 27.7(4) . . ?
Cs1A Cs3 Ge2 107.3(4) 3_455 . ?
Cs3A Cs3 Ge1 89.8(17) . . ?
Cs2A Cs3 Ge1 72.1(5) . . ?
O1 Cs3 Ge1 144.0(5) 3_465 . ?
O8 Cs3 Ge1 75.6(4) 4_545 . ?
O6 Cs3 Ge1 129.5(4) 4_545 . ?
O7 Cs3 Ge1 27.5(4) 4 . ?
O3 Cs3 Ge1 28.0(4) . . ?
O5 Cs3 Ge1 75.9(4) . . ?
Cs1A Cs3 Ge1 148.7(3) 3_455 . ?
Ge2 Cs3 Ge1 50.29(7) . . ?
Cs3A Cs3 Ge3 67(2) . 4_545 ?
Cs2A Cs3 Ge3 175.0(5) . 4_545 ?
O1 Cs3 Ge3 81.8(4) 3_465 4_545 ?
O8 Cs3 Ge3 27.3(3) 4_545 4_545 ?
O6 Cs3 Ge3 26.7(4) 4_545 4_545 ?
O7 Cs3 Ge3 109.1(5) 4 4_545 ?
O3 Cs3 Ge3 116.0(4) . 4_545 ?
O5 Cs3 Ge3 108.4(4) . 4_545 ?
Cs1A Cs3 Ge3 103.0(3) 3_455 4_545 ?
Ge2 Cs3 Ge3 101.09(10) . 4_545 ?
Ge1 Cs3 Ge3 102.87(11) . 4_545 ?
Cs3 Cs3A O1 104(2) . 3_465 ?
Cs3 Cs3A O8 96(2) . 4_545 ?
O1 Cs3A O8 121.2(13) 3_465 4_545 ?
Cs3 Cs3A O7 93.4(19) . 4 ?
O1 Cs3A O7 139.2(15) 3_465 4 ?
O8 Cs3A O7 92.7(11) 4_545 4 ?
Cs3 Cs3A O6 90(2) . 4_545 ?
O1 Cs3A O6 67.5(8) 3_465 4_545 ?
O8 Cs3A O6 57.7(9) 4_545 4_545 ?
O7 Cs3A O6 150.4(14) 4 4_545 ?
Cs3 Cs3A Cs1 170(3) . 4 ?
O1 Cs3A Cs1 68.3(9) 3_465 4 ?
O8 Cs3A Cs1 93.5(13) 4_545 4 ?
O7 Cs3A Cs1 89.4(12) 4 4 ?
O6 Cs3A Cs1 92.6(11) 4_545 4 ?
Cs3 Cs3A Cs2A 51.0(19) . . ?
O1 Cs3A Cs2A 99.4(13) 3_465 . ?
O8 Cs3A Cs2A 134.1(12) 4_545 . ?
O7 Cs3A Cs2A 63.7(9) 4 . ?
O6 Cs3A Cs2A 135.7(16) 4_545 . ?
Cs1 Cs3A Cs2A 122.8(12) 4 . ?
Cs3 Cs3A Ge3 99(2) . 4_545 ?
O1 Cs3A Ge3 92.2(9) 3_465 4_545 ?
O8 Cs3A Ge3 29.6(5) 4_545 4_545 ?
O7 Cs3A Ge3 121.7(12) 4 4_545 ?
O6 Cs3A Ge3 29.1(5) 4_545 4_545 ?
Cs1 Cs3A Ge3 87.7(10) 4 4_545 ?
Cs2A Cs3A Ge3 149.5(14) . 4_545 ?
Cs3 Cs3A Cs1A 163(3) . 4 ?
O1 Cs3A Cs1A 60.0(10) 3_465 4 ?
O8 Cs3A Cs1A 98.0(13) 4_545 4 ?
O7 Cs3A Cs1A 96.1(12) 4 4 ?
O6 Cs3A Cs1A 89.2(10) 4_545 4 ?
Cs1 Cs3A Cs1A 8.3(4) 4 4 ?
Cs2A Cs3A Cs1A 121.9(11) . 4 ?
Ge3 Cs3A Cs1A 88.3(9) 4_545 4 ?
Cs3 Cs3A Ge1 106(2) . 3_465 ?
O1 Cs3A Ge1 24.9(6) 3_465 3_465 ?
O8 Cs3A Ge1 143.3(12) 4_545 3_465 ?
O7 Cs3A Ge1 114.9(11) 4 3_465 ?
O6 Cs3A Ge1 92.4(8) 4_545 3_465 ?
Cs1 Cs3A Ge1 64.7(6) 4 3_465 ?
Cs2A Cs3A Ge1 81.7(9) . 3_465 ?
Ge3 Cs3A Ge1 115.9(8) 4_545 3_465 ?
Cs1A Cs3A Ge1 57.3(7) 4 3_465 ?
Cs3 Cs3A O3 49.5(14) . . ?
O1 Cs3A O3 146.7(16) 3_465 . ?
O8 Cs3A O3 85.3(9) 4_545 . ?
O7 Cs3A O3 45.8(7) 4 . ?
O6 Cs3A O3 123.0(12) 4_545 . ?
Cs1 Cs3A O3 135.0(11) 4 . ?
Cs2A Cs3A O3 49.7(7) . . ?
Ge3 Cs3A O3 109.7(9) 4_545 . ?
Cs1A Cs3A O3 141.9(11) 4 . ?
Ge1 Cs3A O3 131.3(11) 3_465 . ?
Cs3 Cs3A O2 118(3) . 3_465 ?
O1 Cs3A O2 49.8(7) 3_465 3_465 ?
O8 Cs3A O2 146.1(15) 4_545 3_465 ?
O7 Cs3A O2 89.5(10) 4 3_465 ?
O6 Cs3A O2 114.9(9) 4_545 3_465 ?
Cs1 Cs3A O2 52.7(6) 4 3_465 ?
Cs2A Cs3A O2 76.2(9) . 3_465 ?
Ge3 Cs3A O2 130.8(10) 4_545 3_465 ?
Cs1A Cs3A O2 48.2(7) 4 3_465 ?
Ge1 Cs3A O2 26.8(4) 3_465 3_465 ?
O3 Cs3A O2 118.9(10) . 3_465 ?
O1 Ge1 O2 113.7(11) . . ?
O1 Ge1 O7 114.1(10) . 4 ?
O2 Ge1 O7 105.2(12) . 4 ?
O1 Ge1 O3 110.3(11) . . ?
O2 Ge1 O3 112.1(10) . . ?
O7 Ge1 O3 100.7(11) 4 . ?
O1 Ge1 Cs1A 67.6(9) . 2_665 ?
O2 Ge1 Cs1A 58.8(8) . 2_665 ?
O7 Ge1 Cs1A 93.1(12) 4 2_665 ?
O3 Ge1 Cs1A 165.4(9) . 2_665 ?
O1 Ge1 Cs1 62.0(8) . 2_665 ?
O2 Ge1 Cs1 57.1(7) . 2_665 ?
O7 Ge1 Cs1 105.7(10) 4 2_665 ?
O3 Ge1 Cs1 153.3(6) . 2_665 ?
Cs1A Ge1 Cs1 12.6(6) 2_665 2_665 ?
O1 Ge1 Cs3A 41.9(8) . 3_565 ?
O2 Ge1 Cs3A 77.6(9) . 3_565 ?
O7 Ge1 Cs3A 148.1(11) 4 3_565 ?
O3 Ge1 Cs3A 107.6(10) . 3_565 ?
Cs1A Ge1 Cs3A 60.6(10) 2_665 3_565 ?
Cs1 Ge1 Cs3A 48.5(7) 2_665 3_565 ?
O1 Ge1 Cs3 159.2(7) . . ?
O2 Ge1 Cs3 87.1(7) . . ?
O7 Ge1 Cs3 57.0(8) 4 . ?
O3 Ge1 Cs3 58.3(7) . . ?
Cs1A Ge1 Cs3 128.1(6) 2_665 . ?
Cs1 Ge1 Cs3 136.35(14) 2_665 . ?
Cs3A Ge1 Cs3 153.4(5) 3_565 . ?
O1 Ge1 Cs3A 159.6(9) . . ?
O2 Ge1 Cs3A 82.3(9) . . ?
O7 Ge1 Cs3A 46.9(9) 4 . ?
O3 Ge1 Cs3A 72.2(10) . . ?
Cs1A Ge1 Cs3A 115.1(9) 2_665 . ?
Cs1 Ge1 Cs3A 124.6(7) 2_665 . ?
Cs3A Ge1 Cs3A 158.2(4) 3_565 . ?
Cs3 Ge1 Cs3A 14.1(6) . . ?
O1 Ge1 Cs2A 117.9(9) . . ?
O2 Ge1 Cs2A 128.3(9) . . ?
O7 Ge1 Cs2A 55.8(10) 4 . ?
O3 Ge1 Cs2A 45.8(7) . . ?
Cs1A Ge1 Cs2A 148.6(8) 2_665 . ?
Cs1 Ge1 Cs2A 160.8(4) 2_665 . ?
Cs3A Ge1 Cs2A 145.6(8) 3_565 . ?
Cs3 Ge1 Cs2A 41.3(4) . . ?
Cs3A Ge1 Cs2A 48.6(7) . . ?
O1 Ge1 Cs1A 56.6(9) . 1_565 ?
O2 Ge1 Cs1A 131.3(9) . 1_565 ?
O7 Ge1 Cs1A 122.6(11) 4 1_565 ?
O3 Ge1 Cs1A 53.7(9) . 1_565 ?
Cs1A Ge1 Cs1A 121.83(11) 2_665 1_565 ?
Cs1 Ge1 Cs1A 112.4(5) 2_665 1_565 ?
Cs3A Ge1 Cs1A 67.1(9) 3_565 1_565 ?
Cs3 Ge1 Cs1A 110.0(6) . 1_565 ?
Cs3A Ge1 Cs1A 122.9(9) . 1_565 ?
Cs2A Ge1 Cs1A 78.5(8) . 1_565 ?
O1 Ge1 Cs3 43.3(7) . 3_565 ?
O2 Ge1 Cs3 84.5(7) . 3_565 ?
O7 Ge1 Cs3 156.6(8) 4 3_565 ?
O3 Ge1 Cs3 94.9(7) . 3_565 ?
Cs1A Ge1 Cs3 73.6(7) 2_665 3_565 ?
Cs1 Ge1 Cs3 61.41(16) 2_665 3_565 ?
Cs3A Ge1 Cs3 12.9(7) 3_565 3_565 ?
Cs3 Ge1 Cs3 146.02(12) . 3_565 ?
Cs3A Ge1 Cs3 156.4(6) . 3_565 ?
Cs2A Ge1 Cs3 133.4(4) . 3_565 ?
Cs1A Ge1 Cs3 55.5(7) 1_565 3_565 ?
O4 Ge2 O5 105.8(11) . . ?
O4 Ge2 O9 114.2(10) . . ?
O5 Ge2 O9 114.7(11) . . ?
O4 Ge2 O3 110.5(11) . . ?
O5 Ge2 O3 101.0(11) . . ?
O9 Ge2 O3 109.8(10) . . ?
O4 Ge2 Cs2A 72.7(8) . 3_565 ?
O5 Ge2 Cs2A 153.7(10) . 3_565 ?
O9 Ge2 Cs2A 48.4(8) . 3_565 ?
O3 Ge2 Cs2A 104.1(8) . 3_565 ?
O4 Ge2 Cs1 49.5(8) . . ?
O5 Ge2 Cs1 72.8(8) . . ?
O9 Ge2 Cs1 96.5(8) . . ?
O3 Ge2 Cs1 152.8(7) . . ?
Cs2A Ge2 Cs1 88.1(5) 3_565 . ?
O4 Ge2 Cs1A 139.9(10) . 1_565 ?
O5 Ge2 Cs1A 114.3(10) . 1_565 ?
O9 Ge2 Cs1A 50.4(8) . 1_565 ?
O3 Ge2 Cs1A 60.3(8) . 1_565 ?
Cs2A Ge2 Cs1A 72.7(8) 3_565 1_565 ?
Cs1 Ge2 Cs1A 146.7(4) . 1_565 ?
O4 Ge2 Cs1 151.4(8) . 1_565 ?
O5 Ge2 Cs1 102.3(8) . 1_565 ?
O9 Ge2 Cs1 56.7(8) . 1_565 ?
O3 Ge2 Cs1 57.9(7) . 1_565 ?
Cs2A Ge2 Cs1 84.7(5) 3_565 1_565 ?
Cs1 Ge2 Cs1 148.85(14) . 1_565 ?
Cs1A Ge2 Cs1 12.3(6) 1_565 1_565 ?
O4 Ge2 Cs3 81.0(7) . . ?
O5 Ge2 Cs3 61.6(9) . . ?
O9 Ge2 Cs3 164.3(8) . . ?
O3 Ge2 Cs3 58.7(7) . . ?
Cs2A Ge2 Cs3 140.7(4) 3_565 . ?
Cs1 Ge2 Cs3 96.55(12) . . ?
Cs1A Ge2 Cs3 115.6(5) 1_565 . ?
Cs1 Ge2 Cs3 108.16(13) 1_565 . ?
O4 Ge2 Cs2 64.1(7) . 3_565 ?
O5 Ge2 Cs2 134.0(9) . 3_565 ?
O9 Ge2 Cs2 50.4(7) . 3_565 ?
O3 Ge2 Cs2 124.9(7) . 3_565 ?
Cs2A Ge2 Cs2 21.2(5) 3_565 3_565 ?
Cs1 Ge2 Cs2 67.62(15) . 3_565 ?
Cs1A Ge2 Cs2 88.7(6) 1_565 3_565 ?
Cs1 Ge2 Cs2 99.65(16) 1_565 3_565 ?
Cs3 Ge2 Cs2 144.07(12) . 3_565 ?
O4 Ge2 Cs1A 42.9(9) . . ?
O5 Ge2 Cs1A 84.7(10) . . ?
O9 Ge2 Cs1A 91.4(8) . . ?
O3 Ge2 Cs1A 152.6(8) . . ?
Cs2A Ge2 Cs1A 76.7(8) 3_565 . ?
Cs1 Ge2 Cs1A 11.9(5) . . ?
Cs1A Ge2 Cs1A 141.3(9) 1_565 . ?
Cs1 Ge2 Cs1A 147.5(4) 1_565 . ?
Cs3 Ge2 Cs1A 103.0(4) . . ?
Cs2 Ge2 Cs1A 56.8(6) 3_565 . ?
O4 Ge2 Cs2A 121.0(8) . . ?
O5 Ge2 Cs2A 59.4(9) . . ?
O9 Ge2 Cs2A 123.8(8) . . ?
O3 Ge2 Cs2A 41.7(7) . . ?
Cs2A Ge2 Cs2A 144.7(4) 3_565 . ?
Cs1 Ge2 Cs2A 126.3(4) . . ?
Cs1A Ge2 Cs2A 79.7(7) 1_565 . ?
Cs1 Ge2 Cs2A 69.8(4) 1_565 . ?
Cs3 Ge2 Cs2A 40.6(4) . . ?
Cs2 Ge2 Cs2A 165.8(4) 3_565 . ?
Cs1A Ge2 Cs2A 136.7(7) . . ?
O6 Ge3 O8 112.3(11) . . ?
O6 Ge3 O7 107.7(12) . . ?
O8 Ge3 O7 114.8(9) . . ?
O6 Ge3 O5 113.1(11) . . ?
O8 Ge3 O5 111.2(11) . . ?
O7 Ge3 O5 96.7(11) . . ?
O6 Ge3 Cs3A 59.4(9) . 4_554 ?
O8 Ge3 Cs3A 55.7(8) . 4_554 ?
O7 Ge3 Cs3A 146.4(12) . 4_554 ?
O5 Ge3 Cs3A 116.8(10) . 4_554 ?
O6 Ge3 Cs2A 49.7(9) . 4_544 ?
O8 Ge3 Cs2A 119.2(9) . 4_544 ?
O7 Ge3 Cs2A 60.2(10) . 4_544 ?
O5 Ge3 Cs2A 129.5(9) . 4_544 ?
Cs3A Ge3 Cs2A 94.6(8) 4_554 4_544 ?
O6 Ge3 Cs3 56.3(8) . 4_554 ?
O8 Ge3 Cs3 56.0(7) . 4_554 ?
O7 Ge3 Cs3 132.1(9) . 4_554 ?
O5 Ge3 Cs3 131.1(7) . 4_554 ?
Cs3A Ge3 Cs3 14.3(7) 4_554 4_554 ?
Cs2A Ge3 Cs3 83.0(4) 4_544 4_554 ?
O6 Ge3 Cs2 45.0(8) . 4_544 ?
O8 Ge3 Cs2 101.3(8) . 4_544 ?
O7 Ge3 Cs2 74.3(10) . 4_544 ?
O5 Ge3 Cs2 146.9(8) . 4_544 ?
Cs3A Ge3 Cs2 76.5(7) 4_554 4_544 ?
Cs2A Ge3 Cs2 19.9(4) 4_544 4_544 ?
Cs3 Ge3 Cs2 63.99(9) 4_554 4_544 ?
O6 Ge3 Cs2A 135.5(9) . . ?
O8 Ge3 Cs2A 51.4(9) . . ?
O7 Ge3 Cs2A 116.7(10) . . ?
O5 Ge3 Cs2A 59.9(9) . . ?
Cs3A Ge3 Cs2A 83.7(8) 4_554 . ?
Cs2A Ge3 Cs2A 169.3(5) 4_544 . ?
Cs3 Ge3 Cs2A 93.6(4) 4_554 . ?
Cs2 Ge3 Cs2A 152.6(4) 4_544 . ?
O6 Ge3 Cs3A 78.7(9) . 4_544 ?
O8 Ge3 Cs3A 151.7(8) . 4_544 ?
O7 Ge3 Cs3A 38.3(8) . 4_544 ?
O5 Ge3 Cs3A 85.8(10) . 4_544 ?
Cs3A Ge3 Cs3A 137.2(11) 4_554 4_544 ?
Cs2A Ge3 Cs3A 47.3(7) 4_544 4_544 ?
Cs3 Ge3 Cs3A 128.8(6) 4_554 4_544 ?
Cs2 Ge3 Cs3A 67.2(6) 4_544 4_544 ?
Cs2A Ge3 Cs3A 137.5(7) . 4_544 ?
O6 Ge3 Cs2 120.9(8) . . ?
O8 Ge3 Cs2 38.0(8) . . ?
O7 Ge3 Cs2 130.3(8) . . ?
O5 Ge3 Cs2 74.5(8) . . ?
Cs3A Ge3 Cs2 65.3(6) 4_554 . ?
Cs2A Ge3 Cs2 155.4(4) 4_544 . ?
Cs3 Ge3 Cs2 74.73(9) 4_554 . ?
Cs2 Ge3 Cs2 135.57(12) 4_544 . ?
Cs2A Ge3 Cs2 18.9(4) . . ?
Cs3A Ge3 Cs2 156.4(6) 4_544 . ?
Ge1 O1 Gd1 138.4(10) . . ?
Ge1 O1 Cs3A 113.2(12) . 3_565 ?
Gd1 O1 Cs3A 106.5(10) . 3_565 ?
Ge1 O1 Cs3 114.3(9) . 3_565 ?
Gd1 O1 Cs3 107.4(6) . 3_565 ?
Cs3A O1 Cs3 17.4(9) 3_565 3_565 ?
Ge1 O1 Cs1 90.2(9) . 2_665 ?
Gd1 O1 Cs1 98.7(7) . 2_665 ?
Cs3A O1 Cs1 60.7(10) 3_565 2_665 ?
Cs3 O1 Cs1 78.0(5) 3_565 2_665 ?
Ge1 O1 Cs1A 83.8(10) . 2_665 ?
Gd1 O1 Cs1A 95.3(8) . 2_665 ?
Cs3A O1 Cs1A 74.7(13) 3_565 2_665 ?
Cs3 O1 Cs1A 92.0(9) 3_565 2_665 ?
Cs1 O1 Cs1A 14.0(6) 2_665 2_665 ?
Ge1 O1 Cs1A 98.1(10) . 1_565 ?
Gd1 O1 Cs1A 94.7(8) . 1_565 ?
Cs3A O1 Cs1A 88.8(13) 3_565 1_565 ?
Cs3 O1 Cs1A 71.3(9) 3_565 1_565 ?
Cs1 O1 Cs1A 149.0(9) 2_665 1_565 ?
Cs1A O1 Cs1A 162.6(7) 2_665 1_565 ?
Ge1 O1 Cs1 91.5(8) . 1_565 ?
Gd1 O1 Cs1 93.4(7) . 1_565 ?
Cs3A O1 Cs1 100.3(11) 3_565 1_565 ?
Cs3 O1 Cs1 82.9(5) 3_565 1_565 ?
Cs1 O1 Cs1 159.7(6) 2_665 1_565 ?
Cs1A O1 Cs1 171.0(8) 2_665 1_565 ?
Cs1A O1 Cs1 11.8(6) 1_565 1_565 ?
Ge1 O2 Gd1 136.4(11) . 1_545 ?
Ge1 O2 Cs1A 92.0(9) . 2_665 ?
Gd1 O2 Cs1A 130.9(10) 1_545 2_665 ?
Ge1 O2 Cs1 94.8(8) . 2_665 ?
Gd1 O2 Cs1 124.4(8) 1_545 2_665 ?
Cs1A O2 Cs1 15.0(7) 2_665 2_665 ?
Ge1 O2 Cs2 117.5(9) . 4_545 ?
Gd1 O2 Cs2 88.4(6) 1_545 4_545 ?
Cs1A O2 Cs2 71.2(8) 2_665 4_545 ?
Cs1 O2 Cs2 83.0(5) 2_665 4_545 ?
Ge1 O2 Cs3A 75.6(9) . 3_565 ?
Gd1 O2 Cs3A 112.2(8) 1_545 3_565 ?
Cs1A O2 Cs3A 64.5(11) 2_665 3_565 ?
Cs1 O2 Cs3A 51.5(7) 2_665 3_565 ?
Cs2 O2 Cs3A 134.4(9) 4_545 3_565 ?
Ge2 O3 Ge1 129.1(12) . . ?
Ge2 O3 Cs2A 114.9(11) . . ?
Ge1 O3 Cs2A 108.8(9) . . ?
Ge2 O3 Cs1 93.9(8) . 1_565 ?
Ge1 O3 Cs1 108.9(9) . 1_565 ?
Cs2A O3 Cs1 93.0(8) . 1_565 ?
Ge2 O3 Cs3 93.3(8) . . ?
Ge1 O3 Cs3 93.7(8) . . ?
Cs2A O3 Cs3 51.9(6) . . ?
Cs1 O3 Cs3 143.6(7) 1_565 . ?
Ge2 O3 Cs1A 91.4(9) . 1_565 ?
Ge1 O3 Cs1A 100.0(11) . 1_565 ?
Cs2A O3 Cs1A 106.8(11) . 1_565 ?
Cs1 O3 Cs1A 14.3(7) 1_565 1_565 ?
Cs3 O3 Cs1A 157.9(11) . 1_565 ?
Ge2 O3 Cs2 119.3(9) . . ?
Ge1 O3 Cs2 111.2(8) . . ?
Cs2A O3 Cs2 23.2(6) . . ?
Cs1 O3 Cs2 70.2(5) 1_565 . ?
Cs3 O3 Cs2 75.2(4) . . ?
Cs1A O3 Cs2 83.7(9) 1_565 . ?
Ge2 O3 Cs3A 102.9(10) . . ?
Ge1 O3 Cs3A 80.9(10) . . ?
Cs2A O3 Cs3A 55.6(9) . . ?
Cs1 O3 Cs3A 148.4(9) 1_565 . ?
Cs3 O3 Cs3A 12.9(6) . . ?
Cs1A O3 Cs3A 160.8(10) 1_565 . ?
Cs2 O3 Cs3A 78.2(7) . . ?
Ge2 O4 Gd1 137.8(12) . 1_545 ?
Ge2 O4 Cs1A 112.8(13) . . ?
Gd1 O4 Cs1A 109.2(11) 1_545 . ?
Ge2 O4 Cs1 103.6(10) . . ?
Gd1 O4 Cs1 118.2(9) 1_545 . ?
Cs1A O4 Cs1 15.9(8) . . ?
Ge2 O4 Cs2A 78.4(9) . 3_565 ?
Gd1 O4 Cs2A 95.3(8) 1_545 3_565 ?
Cs1A O4 Cs2A 93.6(10) . 3_565 ?
Cs1 O4 Cs2A 104.9(8) . 3_565 ?
Ge2 O4 Cs2 88.8(9) . 3_565 ?
Gd1 O4 Cs2 101.5(7) 1_545 3_565 ?
Cs1A O4 Cs2 70.4(8) . 3_565 ?
Cs1 O4 Cs2 82.4(6) . 3_565 ?
Cs2A O4 Cs2 23.2(5) 3_565 3_565 ?
Ge2 O5 Ge3 127.3(14) . . ?
Ge2 O5 Cs3 90.7(10) . . ?
Ge3 O5 Cs3 130.1(10) . . ?
Ge2 O5 Cs2A 95.1(10) . . ?
Ge3 O5 Cs2A 93.3(10) . . ?
Cs3 O5 Cs2A 47.0(6) . . ?
Ge2 O5 Cs1 79.6(8) . . ?
Ge3 O5 Cs1 110.1(11) . . ?
Cs3 O5 Cs1 107.5(6) . . ?
Cs2A O5 Cs1 154.2(9) . . ?
Ge3 O6 Gd1 134.2(13) . 2_674 ?
Ge3 O6 Cs2A 104.2(11) . 4_544 ?
Gd1 O6 Cs2A 107.0(9) 2_674 4_544 ?
Ge3 O6 Cs3A 91.5(11) . 4_554 ?
Gd1 O6 Cs3A 95.8(10) 2_674 4_554 ?
Cs2A O6 Cs3A 126.7(12) 4_544 4_554 ?
Ge3 O6 Cs2 111.8(10) . 4_544 ?
Gd1 O6 Cs2 111.1(8) 2_674 4_544 ?
Cs2A O6 Cs2 26.3(6) 4_544 4_544 ?
Cs3A O6 Cs2 100.6(10) 4_554 4_544 ?
Ge3 O6 Cs3 97.0(9) . 4_554 ?
Gd1 O6 Cs3 103.1(8) 2_674 4_554 ?
Cs2A O6 Cs3 109.3(9) 4_544 4_554 ?
Cs3A O6 Cs3 17.4(8) 4_554 4_554 ?
Cs2 O6 Cs3 83.3(6) 4_544 4_554 ?
Ge1 O7 Ge3 129.8(13) 4_544 . ?
Ge1 O7 Cs3A 107.7(12) 4_544 4_544 ?
Ge3 O7 Cs3A 119.7(12) . 4_544 ?
Ge1 O7 Cs3 95.5(9) 4_544 4_544 ?
Ge3 O7 Cs3 126.1(11) . 4_544 ?
Cs3A O7 Cs3 17.3(8) 4_544 4_544 ?
Ge1 O7 Cs2A 97.9(12) 4_544 4_544 ?
Ge3 O7 Cs2A 91.2(11) . 4_544 ?
Cs3A O7 Cs2A 61.6(10) 4_544 4_544 ?
Cs3 O7 Cs2A 49.8(6) 4_544 4_544 ?
Ge3 O8 Gd1 134.4(10) . 4_544 ?
Ge3 O8 Cs3A 94.6(9) . 4_554 ?
Gd1 O8 Cs3A 117.8(10) 4_544 4_554 ?
Ge3 O8 Cs2 121.4(10) . . ?
Gd1 O8 Cs2 91.5(6) 4_544 . ?
Cs3A O8 Cs2 90.1(9) 4_554 . ?
Ge3 O8 Cs3 96.7(8) . 4_554 ?
Gd1 O8 Cs3 105.8(8) 4_544 4_554 ?
Cs3A O8 Cs3 17.3(8) 4_554 4_554 ?
Cs2 O8 Cs3 103.4(6) . 4_554 ?
Ge3 O8 Cs2A 103.7(11) . . ?
Gd1 O8 Cs2A 94.7(7) 4_544 . ?
Cs3A O8 Cs2A 110.1(11) 4_554 . ?
Cs2 O8 Cs2A 24.9(5) . . ?
Cs3 O8 Cs2A 125.7(8) 4_554 . ?
Ge2 O9 Gd1 131.3(11) . 2_674 ?
Ge2 O9 Cs2A 102.2(10) . 3_565 ?
Gd1 O9 Cs2A 112.0(10) 2_674 3_565 ?
Ge2 O9 Cs1A 102.2(11) . 1_565 ?
Gd1 O9 Cs1A 105.0(9) 2_674 1_565 ?
Cs2A O9 Cs1A 99.3(12) 3_565 1_565 ?
Ge2 O9 Cs2 102.8(9) . 3_565 ?
Gd1 O9 Cs2 93.6(8) 2_674 3_565 ?
Cs2A O9 Cs2 27.2(6) 3_565 3_565 ?
Cs1A O9 Cs2 124.8(11) 1_565 3_565 ?
Ge2 O9 Cs1 95.3(9) . 1_565 ?
Gd1 O9 Cs1 101.0(7) 2_674 1_565 ?
Cs2A O9 Cs1 113.7(9) 3_565 1_565 ?
Cs1A O9 Cs1 14.7(8) 1_565 1_565 ?
Cs2 O9 Cs1 139.5(7) 3_565 1_565 ?

_refine_diff_density_max         1.938
_refine_diff_density_min         -2.180
_refine_diff_density_rms         0.388

