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

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

data_Cs2(UO2)3(GeO4)2
_database_code_depnum_ccdc_archive 'CCDC 1970231'
loop_
_audit_author_name
_audit_author_address
'Haijian Li'
;Forschungszentrum Juelich
Germany
;
_audit_update_record             
;
2019-12-05 deposited with the CCDC.	2020-01-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cs2 Ge2 O14 U3'
_chemical_formula_weight         1349.09

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 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+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   10.60811(17)
_cell_length_b                   7.66072(12)
_cell_length_c                   16.1437(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1311.93(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6478
_cell_measurement_theta_min      3.1770
_cell_measurement_theta_max      32.4580

_exptl_crystal_description       Column
_exptl_crystal_colour            Green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    6.830
_exptl_crystal_F_000             2248
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    46.977
_shelx_estimated_absorpt_T_min   0.019
_shelx_estimated_absorpt_T_max   0.038
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0
_exptl_absorpt_correction_T_max  0
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  graphite
_diffrn_measurement_method       'SuperNova, Dual, Cu at zero, Eos'
_diffrn_detector_area_resol_mean '\w scans'
_diffrn_reflns_number            11965
_diffrn_reflns_av_unetI/netI     0.0196
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.523
_diffrn_reflns_theta_max         28.276
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             1743
_reflns_number_gt                1632
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0246P)²+3.8202P] 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_number_reflns         1743
_refine_ls_number_parameters     112
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0186
_refine_ls_wR_factor_ref         0.0457
_refine_ls_wR_factor_gt          0.0451
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.120
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.63399(2) 0.250000 0.72020(2) 0.00708(7) Uani 1 2 d S T P . .
U2 U 0.66410(2) -0.250000 0.70305(2) 0.00695(7) Uani 1 2 d S T P . .
U3 U 0.50023(2) 0.250000 0.98479(2) 0.00710(7) Uani 1 2 d S T P . .
Ge1 Ge 0.42687(5) -0.01042(6) 0.82436(4) 0.00727(11) Uani 1 1 d . . . . .
Cs1 Cs 0.34989(4) -0.00794(4) 0.56928(3) 0.02196(10) Uani 1 1 d . U . . .
O1 O 0.6696(5) 0.250000 0.9877(3) 0.0134(11) Uani 1 2 d S T P . .
O2 O 0.4672(5) 0.250000 0.8273(3) 0.0096(10) Uani 1 2 d S T P . .
O3 O 0.5262(4) -0.0233(4) 0.7366(3) 0.0099(7) Uani 1 1 d . . . . .
O4 O 0.3301(5) 0.250000 0.9845(4) 0.0139(11) Uani 1 2 d S T P . .
O5 O 0.5562(5) 0.250000 0.6202(4) 0.0138(11) Uani 1 2 d S T P . .
O6 O 0.5056(4) -0.0218(4) 0.9202(2) 0.0095(7) Uani 1 1 d . . . . .
O7 O 0.6015(5) -0.250000 0.5986(4) 0.0138(11) Uani 1 2 d S T P . .
O8 O 0.3828(5) -0.250000 0.8256(3) 0.0105(10) Uani 1 2 d S T P . .
O9 O 0.2621(3) 0.0256(4) 0.8196(3) 0.0103(7) Uani 1 1 d . . . . .
O10 O 0.7276(5) 0.250000 0.8132(4) 0.0158(12) Uani 1 2 d S T P . .
O11 O 0.7127(5) -0.250000 0.8094(3) 0.0157(12) 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
U1 O10 1.800(6) . ?
U1 O5 1.813(6) . ?
U1 O9 2.283(4) 4_556 ?
U1 O9 2.283(4) 6_657 ?
U1 O3 2.400(4) . ?
U1 O3 2.400(4) 7_565 ?
U1 O2 2.474(5) . ?
U1 Ge1 3.4110(6) . ?
U1 Ge1 3.4110(6) 7_565 ?
U1 U2 3.85361(7) . ?
U1 U2 3.85361(7) 1_565 ?
U1 Cs1 4.3501(5) . ?
U2 O11 1.793(6) . ?
U2 O7 1.812(6) . ?
U2 O3 2.335(4) 7 ?
U2 O3 2.335(4) . ?
U2 O8 2.366(5) 6_657 ?
U2 O9 2.381(3) 6_657 ?
U2 O9 2.381(3) 4_546 ?
U2 Ge1 3.3666(6) 6_657 ?
U2 Ge1 3.3666(6) 4_546 ?
U2 Cs1 4.3832(4) . ?
U3 O1 1.797(5) . ?
U3 O4 1.805(5) . ?
U3 O6 2.327(4) 3_657 ?
U3 O6 2.327(4) 5_657 ?
U3 O6 2.329(4) . ?
U3 O6 2.329(4) 7_565 ?
U3 O2 2.566(5) . ?
U3 Ge1 3.3606(6) . ?
U3 Ge1 3.3606(6) 7_565 ?
U3 U3 3.86173(9) 5_667 ?
U3 U3 3.86173(9) 5_657 ?
U3 Cs1 4.2924(4) 4_556 ?
Ge1 O6 1.760(4) . ?
Ge1 O3 1.768(4) . ?
Ge1 O9 1.772(4) . ?
Ge1 O8 1.8941(14) . ?
Ge1 O2 2.0410(12) . ?
Ge1 Cs1 4.1981(7) . ?
Cs1 O1 2.900(4) 6_557 ?
Cs1 O4 2.993(4) 2_554 ?
Cs1 O10 3.031(4) 6_557 ?
Cs1 O5 3.061(4) . ?
Cs1 O11 3.065(4) 6_557 ?
Cs1 O7 3.285(4) . ?
Cs1 O3 3.287(4) . ?
Cs1 O7 3.393(5) 5_656 ?
Cs1 O6 3.658(4) 6_557 ?
Cs1 Cs1 3.7088(7) 7 ?
Cs1 O5 3.713(5) 5_656 ?
Cs1 Cs1 3.8936(9) 5_656 ?

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
O10 U1 O5 173.6(3) . . ?
O10 U1 O9 84.64(16) . 4_556 ?
O5 U1 O9 91.16(16) . 4_556 ?
O10 U1 O9 84.64(16) . 6_657 ?
O5 U1 O9 91.16(16) . 6_657 ?
O9 U1 O9 97.69(18) 4_556 6_657 ?
O10 U1 O3 99.83(13) . . ?
O5 U1 O3 83.19(13) . . ?
O9 U1 O3 166.23(13) 4_556 . ?
O9 U1 O3 70.00(13) 6_657 . ?
O10 U1 O3 99.83(13) . 7_565 ?
O5 U1 O3 83.19(13) . 7_565 ?
O9 U1 O3 70.00(13) 4_556 7_565 ?
O9 U1 O3 166.23(13) 6_657 7_565 ?
O3 U1 O3 121.42(18) . 7_565 ?
O10 U1 O2 79.1(2) . . ?
O5 U1 O2 107.3(2) . . ?
O9 U1 O2 128.47(10) 4_556 . ?
O9 U1 O2 128.47(10) 6_657 . ?
O3 U1 O2 65.29(10) . . ?
O3 U1 O2 65.29(10) 7_565 . ?
O10 U1 Ge1 86.79(15) . . ?
O5 U1 Ge1 98.38(14) . . ?
O9 U1 Ge1 164.22(10) 4_556 . ?
O9 U1 Ge1 94.68(9) 6_657 . ?
O3 U1 Ge1 29.36(9) . . ?
O3 U1 Ge1 98.55(9) 7_565 . ?
O2 U1 Ge1 36.37(2) . . ?
O10 U1 Ge1 86.79(15) . 7_565 ?
O5 U1 Ge1 98.38(14) . 7_565 ?
O9 U1 Ge1 94.68(9) 4_556 7_565 ?
O9 U1 Ge1 164.22(10) 6_657 7_565 ?
O3 U1 Ge1 98.55(9) . 7_565 ?
O3 U1 Ge1 29.37(9) 7_565 7_565 ?
O2 U1 Ge1 36.37(2) . 7_565 ?
Ge1 U1 Ge1 71.588(18) . 7_565 ?
O10 U1 U2 90.81(2) . . ?
O5 U1 U2 88.50(2) . . ?
O9 U1 U2 132.75(9) 4_556 . ?
O9 U1 U2 35.13(9) 6_657 . ?
O3 U1 U2 34.97(9) . . ?
O3 U1 U2 156.11(9) 7_565 . ?
O2 U1 U2 96.286(6) . . ?
Ge1 U1 U2 60.492(9) . . ?
Ge1 U1 U2 132.078(12) 7_565 . ?
O10 U1 U2 90.81(2) . 1_565 ?
O5 U1 U2 88.50(2) . 1_565 ?
O9 U1 U2 35.13(9) 4_556 1_565 ?
O9 U1 U2 132.75(9) 6_657 1_565 ?
O3 U1 U2 156.11(9) . 1_565 ?
O3 U1 U2 34.97(9) 7_565 1_565 ?
O2 U1 U2 96.286(6) . 1_565 ?
Ge1 U1 U2 132.079(12) . 1_565 ?
Ge1 U1 U2 60.493(9) 7_565 1_565 ?
U2 U1 U2 167.405(11) . 1_565 ?
O10 U1 Cs1 148.14(9) . . ?
O5 U1 Cs1 35.51(11) . . ?
O9 U1 Cs1 126.62(10) 4_556 . ?
O9 U1 Cs1 84.98(10) 6_657 . ?
O3 U1 Cs1 48.35(10) . . ?
O3 U1 Cs1 97.34(10) 7_565 . ?
O2 U1 Cs1 84.03(11) . . ?
Ge1 U1 Cs1 64.161(12) . . ?
Ge1 U1 Cs1 95.480(12) 7_565 . ?
U2 U1 Cs1 64.258(6) . . ?
U2 U1 Cs1 117.949(8) 1_565 . ?
O11 U2 O7 175.2(3) . . ?
O11 U2 O3 87.60(16) . 7 ?
O7 U2 O3 89.22(15) . 7 ?
O11 U2 O3 87.59(16) . . ?
O7 U2 O3 89.22(15) . . ?
O3 U2 O3 96.13(18) 7 . ?
O11 U2 O8 84.6(2) . 6_657 ?
O7 U2 O8 100.2(2) . 6_657 ?
O3 U2 O8 131.30(9) 7 6_657 ?
O3 U2 O8 131.30(9) . 6_657 ?
O11 U2 O9 91.23(13) . 6_657 ?
O7 U2 O9 90.97(13) . 6_657 ?
O3 U2 O9 165.61(12) 7 6_657 ?
O3 U2 O9 69.49(13) . 6_657 ?
O8 U2 O9 62.74(9) 6_657 6_657 ?
O11 U2 O9 91.23(13) . 4_546 ?
O7 U2 O9 90.97(13) . 4_546 ?
O3 U2 O9 69.49(13) 7 4_546 ?
O3 U2 O9 165.61(13) . 4_546 ?
O8 U2 O9 62.74(9) 6_657 4_546 ?
O9 U2 O9 124.89(18) 6_657 4_546 ?
O11 U2 Ge1 83.55(15) . 6_657 ?
O7 U2 Ge1 100.43(14) . 6_657 ?
O3 U2 Ge1 162.73(10) 7 6_657 ?
O3 U2 Ge1 98.27(9) . 6_657 ?
O8 U2 Ge1 33.104(12) 6_657 6_657 ?
O9 U2 Ge1 30.14(9) 6_657 6_657 ?
O9 U2 Ge1 95.84(9) 4_546 6_657 ?
O11 U2 Ge1 83.55(15) . 4_546 ?
O7 U2 Ge1 100.43(14) . 4_546 ?
O3 U2 Ge1 98.27(9) 7 4_546 ?
O3 U2 Ge1 162.73(10) . 4_546 ?
O8 U2 Ge1 33.104(12) 6_657 4_546 ?
O9 U2 Ge1 95.84(9) 6_657 4_546 ?
O9 U2 Ge1 30.14(9) 4_546 4_546 ?
Ge1 U2 Ge1 66.071(17) 6_657 4_546 ?
O11 U2 U1 87.42(2) . . ?
O7 U2 U1 92.091(19) . . ?
O3 U2 U1 132.13(9) 7 . ?
O3 U2 U1 36.09(9) . . ?
O8 U2 U1 95.471(9) 6_657 . ?
O9 U2 U1 33.49(9) 6_657 . ?
O9 U2 U1 158.19(9) 4_546 . ?
Ge1 U2 U1 62.367(9) 6_657 . ?
Ge1 U2 U1 128.311(11) 4_546 . ?
O11 U2 U1 87.42(2) . 1_545 ?
O7 U2 U1 92.091(19) . 1_545 ?
O3 U2 U1 36.09(9) 7 1_545 ?
O3 U2 U1 132.13(9) . 1_545 ?
O8 U2 U1 95.471(9) 6_657 1_545 ?
O9 U2 U1 158.19(9) 6_657 1_545 ?
O9 U2 U1 33.49(9) 4_546 1_545 ?
Ge1 U2 U1 128.312(11) 6_657 1_545 ?
Ge1 U2 U1 62.368(10) 4_546 1_545 ?
U1 U2 U1 167.405(11) . 1_545 ?
O11 U2 Cs1 133.68(15) . . ?
O7 U2 Cs1 42.52(13) . . ?
O3 U2 Cs1 87.28(10) 7 . ?
O3 U2 Cs1 47.39(10) . . ?
O8 U2 Cs1 130.49(11) 6_657 . ?
O9 U2 Cs1 83.17(9) 6_657 . ?
O9 U2 Cs1 129.14(10) 4_546 . ?
Ge1 U2 Cs1 109.526(11) 6_657 . ?
Ge1 U2 Cs1 142.704(14) 4_546 . ?
U1 U2 Cs1 63.375(6) . . ?
U1 U2 Cs1 113.134(8) 1_545 . ?
O1 U3 O4 178.6(3) . . ?
O1 U3 O6 90.53(15) . 3_657 ?
O4 U3 O6 88.58(15) . 3_657 ?
O1 U3 O6 90.53(15) . 5_657 ?
O4 U3 O6 88.58(15) . 5_657 ?
O6 U3 O6 97.42(19) 3_657 5_657 ?
O1 U3 O6 89.28(12) . . ?
O4 U3 O6 91.33(13) . . ?
O6 U3 O6 165.35(10) 3_657 . ?
O6 U3 O6 67.94(16) 5_657 . ?
O1 U3 O6 89.28(12) . 7_565 ?
O4 U3 O6 91.33(12) . 7_565 ?
O6 U3 O6 67.94(16) 3_657 7_565 ?
O6 U3 O6 165.35(10) 5_657 7_565 ?
O6 U3 O6 126.71(19) . 7_565 ?
O1 U3 O2 99.3(2) . . ?
O4 U3 O2 82.0(2) . . ?
O6 U3 O2 130.51(9) 3_657 . ?
O6 U3 O2 130.51(10) 5_657 . ?
O6 U3 O2 63.88(10) . . ?
O6 U3 O2 63.88(10) 7_565 . ?
O1 U3 Ge1 104.58(14) . . ?
O4 U3 Ge1 76.49(14) . . ?
O6 U3 Ge1 161.45(9) 3_657 . ?
O6 U3 Ge1 93.21(9) 5_657 . ?
O6 U3 Ge1 29.53(9) . . ?
O6 U3 Ge1 101.02(10) 7_565 . ?
O2 U3 Ge1 37.34(3) . . ?
O1 U3 Ge1 104.58(14) . 7_565 ?
O4 U3 Ge1 76.49(14) . 7_565 ?
O6 U3 Ge1 93.21(9) 3_657 7_565 ?
O6 U3 Ge1 161.45(9) 5_657 7_565 ?
O6 U3 Ge1 101.02(10) . 7_565 ?
O6 U3 Ge1 29.53(9) 7_565 7_565 ?
O2 U3 Ge1 37.34(3) . 7_565 ?
Ge1 U3 Ge1 72.833(19) . 7_565 ?
O1 U3 U3 89.88(2) . 5_667 ?
O4 U3 U3 89.95(2) . 5_667 ?
O6 U3 U3 33.99(9) 3_657 5_667 ?
O6 U3 U3 131.40(9) 5_657 5_667 ?
O6 U3 U3 160.65(10) . 5_667 ?
O6 U3 U3 33.95(10) 7_565 5_667 ?
O2 U3 U3 97.229(9) . 5_667 ?
Ge1 U3 U3 133.359(14) . 5_667 ?
Ge1 U3 U3 60.587(10) 7_565 5_667 ?
O1 U3 U3 89.88(2) . 5_657 ?
O4 U3 U3 89.95(2) . 5_657 ?
O6 U3 U3 131.40(9) 3_657 5_657 ?
O6 U3 U3 33.99(9) 5_657 5_657 ?
O6 U3 U3 33.95(10) . 5_657 ?
O6 U3 U3 160.65(10) 7_565 5_657 ?
O2 U3 U3 97.229(9) . 5_657 ?
Ge1 U3 U3 60.588(10) . 5_657 ?
Ge1 U3 U3 133.359(14) 7_565 5_657 ?
U3 U3 U3 165.385(17) 5_667 5_657 ?
O1 U3 Cs1 30.85(8) . 4_556 ?
O4 U3 Cs1 149.73(8) . 4_556 ?
O6 U3 Cs1 79.11(9) 3_657 4_556 ?
O6 U3 Cs1 120.19(9) 5_657 4_556 ?
O6 U3 Cs1 107.41(10) . 4_556 ?
O6 U3 Cs1 58.42(9) 7_565 4_556 ?
O2 U3 Cs1 85.21(10) . 4_556 ?
Ge1 U3 Cs1 108.463(13) . 4_556 ?
Ge1 U3 Cs1 76.711(11) 7_565 4_556 ?
U3 U3 Cs1 64.554(7) 5_667 4_556 ?
U3 U3 Cs1 118.917(10) 5_657 4_556 ?
O6 Ge1 O3 114.75(18) . . ?
O6 Ge1 O9 120.93(18) . . ?
O3 Ge1 O9 124.19(19) . . ?
O6 Ge1 O8 93.4(2) . . ?
O3 Ge1 O8 95.8(2) . . ?
O9 Ge1 O8 84.70(19) . . ?
O6 Ge1 O2 85.89(19) . . ?
O3 Ge1 O2 87.02(19) . . ?
O9 Ge1 O2 93.21(18) . . ?
O8 Ge1 O2 177.1(2) . . ?
O6 Ge1 U3 40.72(11) . . ?
O3 Ge1 U3 120.83(13) . . ?
O9 Ge1 U3 99.76(13) . . ?
O8 Ge1 U3 128.62(17) . . ?
O2 Ge1 U3 49.70(15) . . ?
O6 Ge1 U2 118.78(12) . 6_557 ?
O3 Ge1 U2 110.96(13) . 6_557 ?
O9 Ge1 U2 42.44(11) . 6_557 ?
O8 Ge1 U2 43.01(15) . 6_557 ?
O2 Ge1 U2 135.21(14) . 6_557 ?
U3 Ge1 U2 128.072(18) . 6_557 ?
O6 Ge1 U1 99.00(12) . . ?
O3 Ge1 U1 41.74(12) . . ?
O9 Ge1 U1 121.55(12) . . ?
O8 Ge1 U1 136.98(16) . . ?
O2 Ge1 U1 45.94(14) . . ?
U3 Ge1 U1 83.312(13) . . ?
U2 Ge1 U1 141.943(19) 6_557 . ?
O6 Ge1 Cs1 162.67(13) . . ?
O3 Ge1 Cs1 47.95(13) . . ?
O9 Ge1 Cs1 76.40(13) . . ?
O8 Ge1 Cs1 88.11(17) . . ?
O2 Ge1 Cs1 93.39(15) . . ?
U3 Ge1 Cs1 142.969(15) . . ?
U2 Ge1 Cs1 73.293(12) 6_557 . ?
U1 Ge1 Cs1 68.845(12) . . ?
O1 Cs1 O4 81.74(10) 6_557 2_554 ?
O1 Cs1 O10 58.13(14) 6_557 6_557 ?
O4 Cs1 O10 114.65(14) 2_554 6_557 ?
O1 Cs1 O5 96.72(10) 6_557 . ?
O4 Cs1 O5 168.20(15) 2_554 . ?
O10 Cs1 O5 73.57(13) 6_557 . ?
O1 Cs1 O11 107.57(14) 6_557 6_557 ?
O4 Cs1 O11 67.32(14) 2_554 6_557 ?
O10 Cs1 O11 77.94(10) 6_557 6_557 ?
O5 Cs1 O11 123.95(14) . 6_557 ?
O1 Cs1 O7 165.12(14) 6_557 . ?
O4 Cs1 O7 103.56(9) 2_554 . ?
O10 Cs1 O7 128.74(14) 6_557 . ?
O5 Cs1 O7 75.21(9) . . ?
O11 Cs1 O7 87.26(12) 6_557 . ?
O1 Cs1 O3 131.32(11) 6_557 . ?
O4 Cs1 O3 135.77(10) 2_554 . ?
O10 Cs1 O3 75.67(13) 6_557 . ?
O5 Cs1 O3 52.82(11) . . ?
O11 Cs1 O3 73.94(13) 6_557 . ?
O7 Cs1 O3 53.07(11) . . ?
O1 Cs1 O7 56.64(13) 6_557 5_656 ?
O4 Cs1 O7 95.30(12) 2_554 5_656 ?
O10 Cs1 O7 100.68(10) 6_557 5_656 ?
O5 Cs1 O7 74.34(13) . 5_656 ?
O11 Cs1 O7 159.20(14) 6_557 5_656 ?
O7 Cs1 O7 108.69(8) . 5_656 ?
O3 Cs1 O7 126.20(10) . 5_656 ?
O1 Cs1 O6 51.38(10) 6_557 6_557 ?
O4 Cs1 O6 50.68(11) 2_554 6_557 ?
O10 Cs1 O6 64.04(11) 6_557 6_557 ?
O5 Cs1 O6 136.06(10) . 6_557 ?
O11 Cs1 O6 58.57(12) 6_557 6_557 ?
O7 Cs1 O6 142.04(8) . 6_557 ?
O3 Cs1 O6 121.91(9) . 6_557 ?
O7 Cs1 O6 101.87(11) 5_656 6_557 ?
O1 Cs1 Cs1 132.95(7) 6_557 7 ?
O4 Cs1 Cs1 51.71(7) 2_554 7 ?
O10 Cs1 Cs1 130.68(7) 6_557 7 ?
O5 Cs1 Cs1 130.21(7) . 7 ?
O11 Cs1 Cs1 52.76(6) 6_557 7 ?
O7 Cs1 Cs1 55.63(5) . 7 ?
O3 Cs1 Cs1 87.96(6) . 7 ?
O7 Cs1 Cs1 125.61(6) 5_656 7 ?
O6 Cs1 Cs1 88.34(5) 6_557 7 ?
O1 Cs1 O5 104.82(13) 6_557 5_656 ?
O4 Cs1 O5 59.00(13) 2_554 5_656 ?
O10 Cs1 O5 162.95(12) 6_557 5_656 ?
O5 Cs1 O5 110.60(8) . 5_656 ?
O11 Cs1 O5 110.59(8) 6_557 5_656 ?
O7 Cs1 O5 67.59(12) . 5_656 ?
O3 Cs1 O5 120.43(10) . 5_656 ?
O7 Cs1 O5 65.93(7) 5_656 5_656 ?
O6 Cs1 O5 106.96(10) 6_557 5_656 ?
Cs1 Cs1 O5 60.04(4) 7 5_656 ?
O1 Cs1 Cs1 109.63(11) 6_557 5_656 ?
O4 Cs1 Cs1 106.17(11) 2_554 5_656 ?
O10 Cs1 Cs1 133.58(8) 6_557 5_656 ?
O5 Cs1 Cs1 63.21(10) . 5_656 ?
O11 Cs1 Cs1 140.75(8) 6_557 5_656 ?
O7 Cs1 Cs1 55.64(9) . 5_656 ?
O3 Cs1 Cs1 90.45(7) . 5_656 ?
O7 Cs1 Cs1 53.04(8) 5_656 5_656 ?
O6 Cs1 Cs1 147.60(7) 6_557 5_656 ?
Cs1 Cs1 Cs1 91.789(10) 7 5_656 ?
O5 Cs1 Cs1 47.39(7) 5_656 5_656 ?
U3 O1 Cs1 130.62(14) . 4_556 ?
U3 O1 Cs1 130.62(14) . 6_657 ?
Cs1 O1 Cs1 85.90(14) 4_556 6_657 ?
Ge1 O2 Ge1 155.6(3) . 7_565 ?
Ge1 O2 U1 97.69(15) . . ?
Ge1 O2 U1 97.69(15) 7_565 . ?
Ge1 O2 U3 92.96(15) . . ?
Ge1 O2 U3 92.96(15) 7_565 . ?
U1 O2 U3 126.5(2) . . ?
Ge1 O3 U2 126.92(19) . . ?
Ge1 O3 U1 108.90(17) . . ?
U2 O3 U1 108.94(15) . . ?
Ge1 O3 Cs1 108.51(16) . . ?
U2 O3 Cs1 101.09(13) . . ?
U1 O3 Cs1 98.58(12) . . ?
U3 O4 Cs1 129.55(17) . 2 ?
U3 O4 Cs1 129.55(17) . 8_666 ?
Cs1 O4 Cs1 76.58(13) 2 8_666 ?
U1 O5 Cs1 124.37(17) . . ?
U1 O5 Cs1 124.37(17) . 7_565 ?
Cs1 O5 Cs1 80.41(13) . 7_565 ?
U1 O5 Cs1 127.69(19) . 5_656 ?
Cs1 O5 Cs1 69.40(8) . 5_656 ?
Cs1 O5 Cs1 107.03(15) 7_565 5_656 ?
U1 O5 Cs1 127.69(19) . 3_656 ?
Cs1 O5 Cs1 107.04(15) . 3_656 ?
Cs1 O5 Cs1 69.40(8) 7_565 3_656 ?
Cs1 O5 Cs1 59.92(9) 5_656 3_656 ?
Ge1 O6 U3 127.16(18) . 5_657 ?
Ge1 O6 U3 109.74(17) . . ?
U3 O6 U3 112.06(16) 5_657 . ?
Ge1 O6 Cs1 120.88(17) . 6_657 ?
U3 O6 Cs1 91.01(11) 5_657 6_657 ?
U3 O6 Cs1 88.72(11) . 6_657 ?
U2 O7 Cs1 115.58(19) . . ?
U2 O7 Cs1 115.58(19) . 7 ?
Cs1 O7 Cs1 68.75(10) . 7 ?
U2 O7 Cs1 133.43(15) . 3_646 ?
Cs1 O7 Cs1 109.70(15) . 3_646 ?
Cs1 O7 Cs1 71.31(8) 7 3_646 ?
U2 O7 Cs1 133.43(15) . 5_656 ?
Cs1 O7 Cs1 71.31(8) . 5_656 ?
Cs1 O7 Cs1 109.70(15) 7 5_656 ?
Cs1 O7 Cs1 71.23(11) 3_646 5_656 ?
Ge1 O8 Ge1 151.4(3) 7 . ?
Ge1 O8 U2 103.89(15) 7 6_557 ?
Ge1 O8 U2 103.89(15) . 6_557 ?
Ge1 O9 U1 135.77(19) . 6_557 ?
Ge1 O9 U2 107.42(16) . 6_557 ?
U1 O9 U2 111.39(15) 6_557 6_557 ?
U1 O10 Cs1 139.31(7) . 4_556 ?
U1 O10 Cs1 139.31(7) . 6_657 ?
Cs1 O10 Cs1 81.36(14) 4_556 6_657 ?
U2 O11 Cs1 138.47(13) . 6_657 ?
U2 O11 Cs1 138.47(13) . 4_546 ?
Cs1 O11 Cs1 74.47(13) 6_657 4_546 ?

_refine_diff_density_max         1.166
_refine_diff_density_min         -2.491
_refine_diff_density_rms         0.338

####################################################################### 
# 
# 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_Rb6(UO2)3(Ge2O7)2(H2O)0.5
_database_code_depnum_ccdc_archive 'CCDC 1970243'
loop_
_audit_author_name
_audit_author_address
'Haijian Li'
;Forschungszentrum Juelich
Germany
;
_audit_update_record             
;
2019-12-05 deposited with the CCDC.	2020-01-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ge4 O20.50 Rb6 U3'
_chemical_formula_weight         1845.27

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   7.4797(4)
_cell_length_b                   9.9013(6)
_cell_length_c                   10.1327(7)
_cell_angle_alpha                70.179(6)
_cell_angle_beta                 89.046(5)
_cell_angle_gamma                86.240(5)
_cell_volume                     704.43(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2364
_cell_measurement_theta_min      2.7410
_cell_measurement_theta_max      32.0070

_exptl_crystal_description       column
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.350
_exptl_crystal_F_000             790
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    31.754
_shelx_estimated_absorpt_T_min   0.028
_shelx_estimated_absorpt_T_max   0.061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.001
_exptl_absorpt_correction_T_max  0.002
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 15.9834
_diffrn_reflns_number            6856
_diffrn_reflns_av_unetI/netI     0.1422
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.729
_diffrn_reflns_theta_max         32.430
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.920
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6856
_reflns_number_gt                3648
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0713P)²] 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_number_reflns         6856
_refine_ls_number_parameters     170
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.1119
_refine_ls_R_factor_gt           0.0591
_refine_ls_wR_factor_ref         0.1480
_refine_ls_wR_factor_gt          0.1383
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_restrained_S_all      0.938
_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
U1 U 0.500000 0.000000 0.000000 0.01426(19) Uani 1 2 d S . P . .
U2 U 0.500000 -0.500000 0.500000 0.0182(2) Uani 1 2 d S . P . .
U3 U 0.000000 -0.500000 0.000000 0.0249(2) Uani 1 2 d S . P . .
Rb1 Rb 0.9874(2) -0.3386(2) 0.57309(17) 0.0245(4) Uani 0.9 1 d . . P . .
Rb2 Rb -0.0001(3) 0.0644(2) 0.1600(2) 0.0272(5) Uani 0.8 1 d . . P . .
Rb3 Rb 0.5125(3) 0.3510(2) 0.1770(2) 0.0387(5) Uani 0.9 1 d . . P . .
Rb4 Rb 0.4802(5) -0.0863(5) 0.3924(4) 0.0290(9) Uani 0.4 1 d . U P . .
Ge1 Ge 0.22546(17) -0.30989(17) 0.18651(15) 0.0118(3) Uani 1 1 d . . . . .
Ge2 Ge 0.19758(19) 0.30683(18) -0.21570(17) 0.0190(4) Uani 1 1 d . . . . .
O1 O 0.3228(14) -0.1504(12) 0.1522(11) 0.024(3) Uani 1 1 d . . . . .
O2 O -0.0207(14) 0.2910(17) -0.2681(14) 0.046(4) Uani 1 1 d . . . . .
O3 O 0.1826(14) -0.3446(14) 0.0348(11) 0.029(3) Uani 1 1 d . . . . .
O4 O 0.3104(12) 0.3412(13) -0.3738(12) 0.028(3) Uani 1 1 d . . . . .
O5 O 0.1872(15) 0.4418(17) -0.1508(13) 0.043(4) Uani 1 1 d . . . . .
O6 O 0.1021(16) -0.6476(14) 0.1424(12) 0.034(3) Uani 1 1 d . . . . .
O7 O 0.3438(15) -0.4569(14) 0.3067(13) 0.037(3) Uani 1 1 d . . . . .
O8 O 0.2525(18) 0.1371(18) -0.0972(16) 0.056(4) Uani 1 1 d . U . . .
O9 O 0.5195(18) 0.0943(17) 0.1218(15) 0.051(4) Uani 1 1 d . . . . .
O10 O 0.3804(14) -0.3562(13) 0.5414(13) 0.030(3) Uani 1 1 d . . . . .
OW1 O 1.000000 0.000000 0.500000 0.028(8) Uani 0.5 2 d S U 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
U1 O9 1.795(15) 2_655 ?
U1 O9 1.795(15) . ?
U1 O1 2.233(10) 2_655 ?
U1 O1 2.233(10) . ?
U1 O8 2.250(14) . ?
U1 O8 2.250(14) 2_655 ?
U1 Rb4 3.776(4) 2_655 ?
U1 Rb4 3.776(4) . ?
U1 Rb2 4.1488(19) . ?
U1 Rb2 4.1488(19) 2_655 ?
U1 Rb2 4.270(2) 2 ?
U1 Rb2 4.270(2) 1_655 ?
U2 O10 1.797(12) 2_646 ?
U2 O10 1.797(12) . ?
U2 O7 2.197(12) 2_646 ?
U2 O7 2.197(12) . ?
U2 O4 2.233(10) 2_655 ?
U2 O4 2.233(10) 1_546 ?
U2 Rb4 3.858(5) . ?
U2 Rb4 3.858(5) 2_646 ?
U2 Rb3 4.018(2) 1_545 ?
U2 Rb3 4.018(2) 2_656 ?
U2 Rb1 4.2076(16) 2_746 ?
U2 Rb1 4.2076(16) 1_455 ?
U3 O6 1.806(12) 2_545 ?
U3 O6 1.806(12) . ?
U3 O3 2.240(11) 2_545 ?
U3 O3 2.240(11) . ?
U3 O5 2.247(13) 2 ?
U3 O5 2.247(13) 1_545 ?
U3 Rb2 4.061(2) 1_545 ?
U3 Rb2 4.061(2) 2 ?
U3 Rb1 4.0719(17) 2_646 ?
U3 Rb1 4.0719(17) 1_454 ?
U3 Rb3 4.1694(19) 1_445 ?
U3 Rb3 4.1694(19) 2_655 ?
Rb1 O6 2.909(12) 2_646 ?
Rb1 O10 2.951(10) 1_655 ?
Rb1 O2 2.973(13) 2_655 ?
Rb1 O4 3.038(11) 2_655 ?
Rb1 OW1 3.187(2) . ?
Rb1 O5 3.221(13) 1_646 ?
Rb1 O7 3.257(13) 2_646 ?
Rb1 O2 3.474(16) 1_646 ?
Rb1 Ge2 3.697(2) 1_646 ?
Rb1 Ge2 3.803(2) 2_655 ?
Rb1 Ge1 3.928(2) 2_646 ?
Rb1 Rb1 3.945(4) 2_746 ?
Rb2 O6 2.947(13) 1_565 ?
Rb2 O3 3.055(12) 2 ?
Rb2 O8 3.057(17) 2 ?
Rb2 O8 3.102(15) . ?
Rb2 O1 3.130(11) . ?
Rb2 OW1 3.284(2) 1_455 ?
Rb2 O2 3.305(16) 2 ?
Rb2 O9 3.602(14) 1_455 ?
Rb2 Rb2 3.866(5) 2 ?
Rb2 Ge1 3.867(2) 2 ?
Rb2 Ge1 3.895(3) . ?
Rb2 Ge2 3.910(3) 2 ?
Rb3 O9 2.778(15) . ?
Rb3 O7 2.875(14) 1_565 ?
Rb3 O10 2.994(13) 2_656 ?
Rb3 O5 3.089(13) 2_665 ?
Rb3 O6 3.094(12) 1_565 ?
Rb3 O3 3.118(11) 2_655 ?
Rb3 Rb3 3.793(4) 2_665 ?
Rb3 Ge1 3.894(3) 1_565 ?
Rb3 Rb4 4.157(5) . ?
Rb4 O10 2.733(12) . ?
Rb4 O9 2.742(14) . ?
Rb4 O4 2.941(13) 2_655 ?
Rb4 O1 2.992(12) . ?
Rb4 Rb4 3.222(9) 2_656 ?
Rb4 Ge2 3.950(5) 2_655 ?
Rb4 Ge1 4.087(5) . ?
Ge1 O1 1.707(11) . ?
Ge1 O3 1.724(11) . ?
Ge1 O7 1.747(11) . ?
Ge1 O2 1.758(10) 2 ?
Ge2 O5 1.674(16) . ?
Ge2 O8 1.730(15) . ?
Ge2 O4 1.737(11) . ?
Ge2 O2 1.758(12) . ?

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
O9 U1 O9 180.0 2_655 . ?
O9 U1 O1 89.1(5) 2_655 2_655 ?
O9 U1 O1 90.9(5) . 2_655 ?
O9 U1 O1 90.9(5) 2_655 . ?
O9 U1 O1 89.1(5) . . ?
O1 U1 O1 180.0 2_655 . ?
O9 U1 O8 88.5(7) 2_655 . ?
O9 U1 O8 91.5(7) . . ?
O1 U1 O8 91.8(5) 2_655 . ?
O1 U1 O8 88.2(5) . . ?
O9 U1 O8 91.5(7) 2_655 2_655 ?
O9 U1 O8 88.5(7) . 2_655 ?
O1 U1 O8 88.2(5) 2_655 2_655 ?
O1 U1 O8 91.8(5) . 2_655 ?
O8 U1 O8 180.0 . 2_655 ?
O9 U1 Rb4 42.7(5) 2_655 2_655 ?
O9 U1 Rb4 137.3(5) . 2_655 ?
O1 U1 Rb4 52.4(3) 2_655 2_655 ?
O1 U1 Rb4 127.6(3) . 2_655 ?
O8 U1 Rb4 71.3(4) . 2_655 ?
O8 U1 Rb4 108.7(4) 2_655 2_655 ?
O9 U1 Rb4 137.3(5) 2_655 . ?
O9 U1 Rb4 42.7(5) . . ?
O1 U1 Rb4 127.6(3) 2_655 . ?
O1 U1 Rb4 52.4(3) . . ?
O8 U1 Rb4 108.7(4) . . ?
O8 U1 Rb4 71.3(4) 2_655 . ?
Rb4 U1 Rb4 180.0 2_655 . ?
O9 U1 Rb2 109.9(4) 2_655 . ?
O9 U1 Rb2 70.1(4) . . ?
O1 U1 Rb2 132.0(3) 2_655 . ?
O1 U1 Rb2 48.0(3) . . ?
O8 U1 Rb2 47.3(4) . . ?
O8 U1 Rb2 132.7(4) 2_655 . ?
Rb4 U1 Rb2 115.72(7) 2_655 . ?
Rb4 U1 Rb2 64.28(7) . . ?
O9 U1 Rb2 70.1(4) 2_655 2_655 ?
O9 U1 Rb2 109.9(4) . 2_655 ?
O1 U1 Rb2 48.0(3) 2_655 2_655 ?
O1 U1 Rb2 132.0(3) . 2_655 ?
O8 U1 Rb2 132.7(4) . 2_655 ?
O8 U1 Rb2 47.3(4) 2_655 2_655 ?
Rb4 U1 Rb2 64.28(7) 2_655 2_655 ?
Rb4 U1 Rb2 115.72(7) . 2_655 ?
Rb2 U1 Rb2 180.0 . 2_655 ?
O9 U1 Rb2 56.4(4) 2_655 2 ?
O9 U1 Rb2 123.6(4) . 2 ?
O1 U1 Rb2 116.5(3) 2_655 2 ?
O1 U1 Rb2 63.5(3) . 2 ?
O8 U1 Rb2 43.5(4) . 2 ?
O8 U1 Rb2 136.5(4) 2_655 2 ?
Rb4 U1 Rb2 69.04(7) 2_655 2 ?
Rb4 U1 Rb2 110.96(7) . 2 ?
Rb2 U1 Rb2 54.64(6) . 2 ?
Rb2 U1 Rb2 125.35(6) 2_655 2 ?
O9 U1 Rb2 123.6(4) 2_655 1_655 ?
O9 U1 Rb2 56.4(4) . 1_655 ?
O1 U1 Rb2 63.5(3) 2_655 1_655 ?
O1 U1 Rb2 116.5(3) . 1_655 ?
O8 U1 Rb2 136.5(4) . 1_655 ?
O8 U1 Rb2 43.5(4) 2_655 1_655 ?
Rb4 U1 Rb2 110.96(7) 2_655 1_655 ?
Rb4 U1 Rb2 69.04(7) . 1_655 ?
Rb2 U1 Rb2 125.36(6) . 1_655 ?
Rb2 U1 Rb2 54.65(6) 2_655 1_655 ?
Rb2 U1 Rb2 180.00(6) 2 1_655 ?
O10 U2 O10 180.0 2_646 . ?
O10 U2 O7 92.4(5) 2_646 2_646 ?
O10 U2 O7 87.6(5) . 2_646 ?
O10 U2 O7 87.6(5) 2_646 . ?
O10 U2 O7 92.4(5) . . ?
O7 U2 O7 180.0 2_646 . ?
O10 U2 O4 91.6(5) 2_646 2_655 ?
O10 U2 O4 88.4(5) . 2_655 ?
O7 U2 O4 92.2(4) 2_646 2_655 ?
O7 U2 O4 87.8(4) . 2_655 ?
O10 U2 O4 88.4(5) 2_646 1_546 ?
O10 U2 O4 91.6(5) . 1_546 ?
O7 U2 O4 87.8(4) 2_646 1_546 ?
O7 U2 O4 92.2(4) . 1_546 ?
O4 U2 O4 180.0 2_655 1_546 ?
O10 U2 Rb4 140.2(4) 2_646 . ?
O10 U2 Rb4 39.8(4) . . ?
O7 U2 Rb4 96.0(4) 2_646 . ?
O7 U2 Rb4 84.0(4) . . ?
O4 U2 Rb4 49.4(3) 2_655 . ?
O4 U2 Rb4 130.6(3) 1_546 . ?
O10 U2 Rb4 39.8(4) 2_646 2_646 ?
O10 U2 Rb4 140.2(4) . 2_646 ?
O7 U2 Rb4 84.0(4) 2_646 2_646 ?
O7 U2 Rb4 96.0(4) . 2_646 ?
O4 U2 Rb4 130.6(3) 2_655 2_646 ?
O4 U2 Rb4 49.4(3) 1_546 2_646 ?
Rb4 U2 Rb4 180.0 . 2_646 ?
O10 U2 Rb3 43.9(4) 2_646 1_545 ?
O10 U2 Rb3 136.1(4) . 1_545 ?
O7 U2 Rb3 136.0(4) 2_646 1_545 ?
O7 U2 Rb3 44.0(4) . 1_545 ?
O4 U2 Rb3 85.6(3) 2_655 1_545 ?
O4 U2 Rb3 94.4(3) 1_546 1_545 ?
Rb4 U2 Rb3 114.56(7) . 1_545 ?
Rb4 U2 Rb3 65.44(7) 2_646 1_545 ?
O10 U2 Rb3 136.1(4) 2_646 2_656 ?
O10 U2 Rb3 43.9(4) . 2_656 ?
O7 U2 Rb3 44.0(4) 2_646 2_656 ?
O7 U2 Rb3 136.0(4) . 2_656 ?
O4 U2 Rb3 94.4(3) 2_655 2_656 ?
O4 U2 Rb3 85.6(3) 1_546 2_656 ?
Rb4 U2 Rb3 65.44(7) . 2_656 ?
Rb4 U2 Rb3 114.56(7) 2_646 2_656 ?
Rb3 U2 Rb3 180.00(6) 1_545 2_656 ?
O10 U2 Rb1 36.1(4) 2_646 2_746 ?
O10 U2 Rb1 143.9(4) . 2_746 ?
O7 U2 Rb1 73.4(3) 2_646 2_746 ?
O7 U2 Rb1 106.6(3) . 2_746 ?
O4 U2 Rb1 62.7(3) 2_655 2_746 ?
O4 U2 Rb1 117.3(3) 1_546 2_746 ?
Rb4 U2 Rb1 110.80(7) . 2_746 ?
Rb4 U2 Rb1 69.20(7) 2_646 2_746 ?
Rb3 U2 Rb1 66.68(4) 1_545 2_746 ?
Rb3 U2 Rb1 113.32(4) 2_656 2_746 ?
O10 U2 Rb1 143.9(4) 2_646 1_455 ?
O10 U2 Rb1 36.1(4) . 1_455 ?
O7 U2 Rb1 106.6(3) 2_646 1_455 ?
O7 U2 Rb1 73.4(3) . 1_455 ?
O4 U2 Rb1 117.3(3) 2_655 1_455 ?
O4 U2 Rb1 62.7(3) 1_546 1_455 ?
Rb4 U2 Rb1 69.20(7) . 1_455 ?
Rb4 U2 Rb1 110.80(7) 2_646 1_455 ?
Rb3 U2 Rb1 113.32(4) 1_545 1_455 ?
Rb3 U2 Rb1 66.68(4) 2_656 1_455 ?
Rb1 U2 Rb1 180.0 2_746 1_455 ?
O6 U3 O6 180.0 2_545 . ?
O6 U3 O3 91.9(5) 2_545 2_545 ?
O6 U3 O3 88.1(5) . 2_545 ?
O6 U3 O3 88.1(5) 2_545 . ?
O6 U3 O3 91.9(5) . . ?
O3 U3 O3 180.0 2_545 . ?
O6 U3 O5 89.5(5) 2_545 2 ?
O6 U3 O5 90.5(5) . 2 ?
O3 U3 O5 93.6(5) 2_545 2 ?
O3 U3 O5 86.4(4) . 2 ?
O6 U3 O5 90.5(5) 2_545 1_545 ?
O6 U3 O5 89.5(5) . 1_545 ?
O3 U3 O5 86.4(4) 2_545 1_545 ?
O3 U3 O5 93.6(4) . 1_545 ?
O5 U3 O5 180.0 2 1_545 ?
O6 U3 Rb2 139.0(4) 2_545 1_545 ?
O6 U3 Rb2 41.0(4) . 1_545 ?
O3 U3 Rb2 48.0(3) 2_545 1_545 ?
O3 U3 Rb2 132.0(3) . 1_545 ?
O5 U3 Rb2 99.9(4) 2 1_545 ?
O5 U3 Rb2 80.1(4) 1_545 1_545 ?
O6 U3 Rb2 41.0(4) 2_545 2 ?
O6 U3 Rb2 139.0(4) . 2 ?
O3 U3 Rb2 132.0(3) 2_545 2 ?
O3 U3 Rb2 48.0(3) . 2 ?
O5 U3 Rb2 80.1(4) 2 2 ?
O5 U3 Rb2 99.9(4) 1_545 2 ?
Rb2 U3 Rb2 180.0 1_545 2 ?
O6 U3 Rb1 140.7(4) 2_545 2_646 ?
O6 U3 Rb1 39.3(4) . 2_646 ?
O3 U3 Rb1 97.7(3) 2_545 2_646 ?
O3 U3 Rb1 82.3(3) . 2_646 ?
O5 U3 Rb1 52.0(3) 2 2_646 ?
O5 U3 Rb1 128.0(3) 1_545 2_646 ?
Rb2 U3 Rb1 66.19(4) 1_545 2_646 ?
Rb2 U3 Rb1 113.81(4) 2 2_646 ?
O6 U3 Rb1 39.3(4) 2_545 1_454 ?
O6 U3 Rb1 140.7(4) . 1_454 ?
O3 U3 Rb1 82.3(3) 2_545 1_454 ?
O3 U3 Rb1 97.7(3) . 1_454 ?
O5 U3 Rb1 128.0(3) 2 1_454 ?
O5 U3 Rb1 52.0(3) 1_545 1_454 ?
Rb2 U3 Rb1 113.81(4) 1_545 1_454 ?
Rb2 U3 Rb1 66.19(4) 2 1_454 ?
Rb1 U3 Rb1 180.0 2_646 1_454 ?
O6 U3 Rb3 94.3(3) 2_545 1_445 ?
O6 U3 Rb3 85.7(3) . 1_445 ?
O3 U3 Rb3 47.2(3) 2_545 1_445 ?
O3 U3 Rb3 132.8(3) . 1_445 ?
O5 U3 Rb3 46.5(4) 2 1_445 ?
O5 U3 Rb3 133.5(4) 1_545 1_445 ?
Rb2 U3 Rb3 66.42(4) 1_545 1_445 ?
Rb2 U3 Rb3 113.58(4) 2 1_445 ?
Rb1 U3 Rb3 66.57(4) 2_646 1_445 ?
Rb1 U3 Rb3 113.43(4) 1_454 1_445 ?
O6 U3 Rb3 85.7(3) 2_545 2_655 ?
O6 U3 Rb3 94.3(3) . 2_655 ?
O3 U3 Rb3 132.8(3) 2_545 2_655 ?
O3 U3 Rb3 47.2(3) . 2_655 ?
O5 U3 Rb3 133.5(4) 2 2_655 ?
O5 U3 Rb3 46.5(4) 1_545 2_655 ?
Rb2 U3 Rb3 113.58(4) 1_545 2_655 ?
Rb2 U3 Rb3 66.42(4) 2 2_655 ?
Rb1 U3 Rb3 113.43(4) 2_646 2_655 ?
Rb1 U3 Rb3 66.57(4) 1_454 2_655 ?
Rb3 U3 Rb3 180.0 1_445 2_655 ?
O6 Rb1 O10 109.7(4) 2_646 1_655 ?
O6 Rb1 O2 169.9(4) 2_646 2_655 ?
O10 Rb1 O2 78.8(3) 1_655 2_655 ?
O6 Rb1 O4 119.3(3) 2_646 2_655 ?
O10 Rb1 O4 130.6(3) 1_655 2_655 ?
O2 Rb1 O4 53.2(3) 2_655 2_655 ?
O6 Rb1 OW1 86.8(3) 2_646 . ?
O10 Rb1 OW1 88.7(2) 1_655 . ?
O2 Rb1 OW1 88.1(3) 2_655 . ?
O4 Rb1 OW1 99.2(2) 2_655 . ?
O6 Rb1 O5 56.1(4) 2_646 1_646 ?
O10 Rb1 O5 67.5(3) 1_655 1_646 ?
O2 Rb1 O5 133.8(4) 2_655 1_646 ?
O4 Rb1 O5 138.2(3) 2_655 1_646 ?
OW1 Rb1 O5 120.4(3) . 1_646 ?
O6 Rb1 O7 69.0(3) 2_646 2_646 ?
O10 Rb1 O7 140.9(3) 1_655 2_646 ?
O2 Rb1 O7 108.0(3) 2_655 2_646 ?
O4 Rb1 O7 60.8(3) 2_655 2_646 ?
OW1 Rb1 O7 129.2(2) . 2_646 ?
O5 Rb1 O7 82.6(3) 1_646 2_646 ?
O6 Rb1 O2 80.5(3) 2_646 1_646 ?
O10 Rb1 O2 92.1(3) 1_655 1_646 ?
O2 Rb1 O2 105.0(3) 2_655 1_646 ?
O4 Rb1 O2 90.3(3) 2_655 1_646 ?
OW1 Rb1 O2 166.8(2) . 1_646 ?
O5 Rb1 O2 48.5(3) 1_646 1_646 ?
O7 Rb1 O2 48.8(3) 2_646 1_646 ?
O6 Rb1 Ge2 77.9(3) 2_646 1_646 ?
O10 Rb1 Ge2 67.3(2) 1_655 1_646 ?
O2 Rb1 Ge2 111.0(3) 2_655 1_646 ?
O4 Rb1 Ge2 116.3(2) 2_655 1_646 ?
OW1 Rb1 Ge2 144.45(6) . 1_646 ?
O5 Rb1 Ge2 26.9(3) 1_646 1_646 ?
O7 Rb1 Ge2 74.6(2) 2_646 1_646 ?
O2 Rb1 Ge2 28.16(19) 1_646 1_646 ?
O6 Rb1 Ge2 145.4(2) 2_646 2_655 ?
O10 Rb1 Ge2 104.8(3) 1_655 2_655 ?
O2 Rb1 Ge2 26.6(2) 2_655 2_655 ?
O4 Rb1 Ge2 26.53(19) 2_655 2_655 ?
OW1 Rb1 Ge2 94.16(5) . 2_655 ?
O5 Rb1 Ge2 143.4(3) 1_646 2_655 ?
O7 Rb1 Ge2 84.2(2) 2_646 2_655 ?
O2 Rb1 Ge2 98.4(2) 1_646 2_655 ?
Ge2 Rb1 Ge2 116.55(6) 1_646 2_655 ?
O6 Rb1 Ge1 63.4(3) 2_646 2_646 ?
O10 Rb1 Ge1 116.3(2) 1_655 2_646 ?
O2 Rb1 Ge1 118.3(3) 2_655 2_646 ?
O4 Rb1 Ge1 82.5(2) 2_655 2_646 ?
OW1 Rb1 Ge1 145.59(6) . 2_646 ?
O5 Rb1 Ge1 57.6(2) 1_646 2_646 ?
O7 Rb1 Ge1 26.06(19) 2_646 2_646 ?
O2 Rb1 Ge1 26.57(17) 1_646 2_646 ?
Ge2 Rb1 Ge1 49.05(4) 1_646 2_646 ?
Ge2 Rb1 Ge1 101.02(6) 2_655 2_646 ?
O6 Rb1 Rb1 126.7(3) 2_646 2_746 ?
O10 Rb1 Rb1 83.5(3) 1_655 2_746 ?
O2 Rb1 Rb1 58.3(3) 2_655 2_746 ?
O4 Rb1 Rb1 63.4(2) 2_655 2_746 ?
OW1 Rb1 Rb1 146.35(7) . 2_746 ?
O5 Rb1 Rb1 86.5(3) 1_646 2_746 ?
O7 Rb1 Rb1 69.7(3) 2_646 2_746 ?
O2 Rb1 Rb1 46.7(2) 1_646 2_746 ?
Ge2 Rb1 Rb1 59.59(5) 1_646 2_746 ?
Ge2 Rb1 Rb1 56.96(5) 2_655 2_746 ?
Ge1 Rb1 Rb1 64.55(5) 2_646 2_746 ?
O6 Rb2 O3 56.2(3) 1_565 2 ?
O6 Rb2 O8 152.2(4) 1_565 2 ?
O3 Rb2 O8 96.5(3) 2 2 ?
O6 Rb2 O8 79.0(4) 1_565 . ?
O3 Rb2 O8 78.4(3) 2 . ?
O8 Rb2 O8 102.3(3) 2 . ?
O6 Rb2 O1 114.4(3) 1_565 . ?
O3 Rb2 O1 138.3(3) 2 . ?
O8 Rb2 O1 89.0(4) 2 . ?
O8 Rb2 O1 60.1(3) . . ?
O6 Rb2 OW1 84.4(2) 1_565 1_455 ?
O3 Rb2 OW1 119.4(2) 2 1_455 ?
O8 Rb2 OW1 108.2(3) 2 1_455 ?
O8 Rb2 OW1 141.8(3) . 1_455 ?
O1 Rb2 OW1 97.5(2) . 1_455 ?
O6 Rb2 O2 157.1(3) 1_565 2 ?
O3 Rb2 O2 146.7(3) 2 2 ?
O8 Rb2 O2 50.5(3) 2 2 ?
O8 Rb2 O2 101.9(4) . 2 ?
O1 Rb2 O2 50.8(3) . 2 ?
OW1 Rb2 O2 81.1(2) 1_455 2 ?
O6 Rb2 O9 105.7(3) 1_565 1_455 ?
O3 Rb2 O9 60.8(3) 2 1_455 ?
O8 Rb2 O9 49.7(4) 2 1_455 ?
O8 Rb2 O9 121.9(3) . 1_455 ?
O1 Rb2 O9 138.7(3) . 1_455 ?
OW1 Rb2 O9 95.6(2) 1_455 1_455 ?
O2 Rb2 O9 93.3(3) 2 1_455 ?
O6 Rb2 Rb2 123.1(2) 1_565 2 ?
O3 Rb2 Rb2 85.9(2) 2 2 ?
O8 Rb2 Rb2 51.7(3) 2 2 ?
O8 Rb2 Rb2 50.6(3) . 2 ?
O1 Rb2 Rb2 65.5(2) . 2 ?
OW1 Rb2 Rb2 151.41(9) 1_455 2 ?
O2 Rb2 Rb2 70.3(2) 2 2 ?
O9 Rb2 Rb2 85.0(2) 1_455 2 ?
O6 Rb2 Ge1 77.4(2) 1_565 2 ?
O3 Rb2 Ge1 25.6(2) 2 2 ?
O8 Rb2 Ge1 78.0(3) 2 2 ?
O8 Rb2 Ge1 65.9(3) . 2 ?
O1 Rb2 Ge1 119.8(2) . 2 ?
OW1 Rb2 Ge1 142.50(7) 1_455 2 ?
O2 Rb2 Ge1 124.3(2) 2 2 ?
O9 Rb2 Ge1 59.4(2) 1_455 2 ?
Rb2 Rb2 Ge1 60.49(6) 2 2 ?
O6 Rb2 Ge1 139.4(3) 1_565 . ?
O3 Rb2 Ge1 145.5(2) 2 . ?
O8 Rb2 Ge1 65.9(3) 2 . ?
O8 Rb2 Ge1 77.0(3) . . ?
O1 Rb2 Ge1 25.2(2) . . ?
OW1 Rb2 Ge1 94.81(5) 1_455 . ?
O2 Rb2 Ge1 26.68(18) 2 . ?
O9 Rb2 Ge1 114.7(3) 1_455 . ?
Rb2 Rb2 Ge1 59.77(6) 2 . ?
Ge1 Rb2 Ge1 120.26(6) 2 . ?
O6 Rb2 Ge2 171.4(2) 1_565 2 ?
O3 Rb2 Ge2 121.3(2) 2 2 ?
O8 Rb2 Ge2 25.1(3) 2 2 ?
O8 Rb2 Ge2 109.1(3) . 2 ?
O1 Rb2 Ge2 73.2(2) . 2 ?
OW1 Rb2 Ge2 90.68(5) 1_455 2 ?
O2 Rb2 Ge2 26.5(2) 2 2 ?
O9 Rb2 Ge2 67.7(2) 1_455 2 ?
Rb2 Rb2 Ge2 63.03(6) 2 2 ?
Ge1 Rb2 Ge2 102.78(6) 2 2 ?
Ge1 Rb2 Ge2 47.96(4) . 2 ?
O9 Rb3 O7 149.8(4) . 1_565 ?
O9 Rb3 O10 121.1(4) . 2_656 ?
O7 Rb3 O10 56.5(3) 1_565 2_656 ?
O9 Rb3 O5 129.8(4) . 2_665 ?
O7 Rb3 O5 79.4(4) 1_565 2_665 ?
O10 Rb3 O5 68.8(3) 2_656 2_665 ?
O9 Rb3 O6 84.4(4) . 1_565 ?
O7 Rb3 O6 71.8(3) 1_565 1_565 ?
O10 Rb3 O6 112.9(3) 2_656 1_565 ?
O5 Rb3 O6 141.0(4) 2_665 1_565 ?
O9 Rb3 O3 70.2(3) . 2_655 ?
O7 Rb3 O3 139.8(4) 1_565 2_655 ?
O10 Rb3 O3 117.5(3) 2_656 2_655 ?
O5 Rb3 O3 63.6(3) 2_665 2_655 ?
O6 Rb3 O3 129.5(3) 1_565 2_655 ?
O9 Rb3 Rb3 106.2(3) . 2_665 ?
O7 Rb3 Rb3 90.3(3) 1_565 2_665 ?
O10 Rb3 Rb3 130.3(3) 2_656 2_665 ?
O5 Rb3 Rb3 69.5(2) 2_665 2_665 ?
O6 Rb3 Rb3 84.6(2) 1_565 2_665 ?
O3 Rb3 Rb3 63.2(2) 2_655 2_665 ?
O9 Rb3 Ge1 146.6(3) . 1_565 ?
O7 Rb3 Ge1 24.5(2) 1_565 1_565 ?
O10 Rb3 Ge1 79.9(2) 2_656 1_565 ?
O5 Rb3 Ge1 80.3(3) 2_665 1_565 ?
O6 Rb3 Ge1 62.6(3) 1_565 1_565 ?
O3 Rb3 Ge1 126.2(2) 2_655 1_565 ?
Rb3 Rb3 Ge1 67.51(6) 2_665 1_565 ?
O9 Rb3 U2 140.9(3) . 1_565 ?
O7 Rb3 U2 32.0(2) 1_565 1_565 ?
O10 Rb3 U2 24.6(2) 2_656 1_565 ?
O5 Rb3 U2 69.1(3) 2_665 1_565 ?
O6 Rb3 U2 96.8(3) 1_565 1_565 ?
O3 Rb3 U2 130.4(2) 2_655 1_565 ?
Rb3 Rb3 U2 112.90(9) 2_665 1_565 ?
Ge1 Rb3 U2 55.33(4) 1_565 1_565 ?
O9 Rb3 Rb4 40.8(3) . . ?
O7 Rb3 Rb4 116.4(3) 1_565 . ?
O10 Rb3 Rb4 83.3(2) 2_656 . ?
O5 Rb3 Rb4 132.6(3) 2_665 . ?
O6 Rb3 Rb4 84.6(2) 1_565 . ?
O3 Rb3 Rb4 100.7(2) 2_655 . ?
Rb3 Rb3 Rb4 146.18(12) 2_665 . ?
Ge1 Rb3 Rb4 132.76(8) 1_565 . ?
U2 Rb3 Rb4 100.17(8) 1_565 . ?
O9 Rb3 U3 99.6(3) . 1_665 ?
O7 Rb3 U3 110.5(3) 1_565 1_665 ?
O10 Rb3 U3 92.2(2) 2_656 1_665 ?
O5 Rb3 U3 31.9(3) 2_665 1_665 ?
O6 Rb3 U3 148.1(2) 1_565 1_665 ?
O3 Rb3 U3 31.8(2) 2_655 1_665 ?
Rb3 Rb3 U3 63.75(5) 2_665 1_665 ?
Ge1 Rb3 U3 105.64(5) 1_565 1_665 ?
U2 Rb3 U3 99.44(5) 1_565 1_665 ?
Rb4 Rb3 U3 118.91(7) . 1_665 ?
O9 Rb3 U3 94.9(3) . 1_565 ?
O7 Rb3 U3 70.0(2) 1_565 1_565 ?
O10 Rb3 U3 122.9(2) 2_656 1_565 ?
O5 Rb3 U3 121.7(3) 2_665 1_565 ?
O6 Rb3 U3 22.6(2) 1_565 1_565 ?
O3 Rb3 U3 115.8(2) 2_655 1_565 ?
Rb3 Rb3 U3 62.48(6) 2_665 1_565 ?
Ge1 Rb3 U3 52.37(3) 1_565 1_565 ?
U2 Rb3 U3 100.82(4) 1_565 1_565 ?
Rb4 Rb3 U3 105.62(7) . 1_565 ?
U3 Rb3 U3 126.23(5) 1_665 1_565 ?
O10 Rb4 O9 141.2(4) . . ?
O10 Rb4 O4 59.7(3) . 2_655 ?
O9 Rb4 O4 98.9(4) . 2_655 ?
O10 Rb4 O1 82.8(4) . . ?
O9 Rb4 O1 59.2(4) . . ?
O4 Rb4 O1 74.1(3) 2_655 . ?
O10 Rb4 Rb4 108.2(3) . 2_656 ?
O9 Rb4 Rb4 110.1(4) . 2_656 ?
O4 Rb4 Rb4 129.7(3) 2_655 2_656 ?
O1 Rb4 Rb4 156.2(3) . 2_656 ?
O10 Rb4 U1 115.1(3) . . ?
O9 Rb4 U1 26.4(3) . . ?
O4 Rb4 U1 78.9(2) 2_655 . ?
O1 Rb4 U1 36.2(2) . . ?
Rb4 Rb4 U1 136.5(2) 2_656 . ?
O10 Rb4 U2 24.9(3) . . ?
O9 Rb4 U2 123.7(4) . . ?
O4 Rb4 U2 35.19(19) 2_655 . ?
O1 Rb4 U2 73.9(2) . . ?
Rb4 Rb4 U2 124.44(19) 2_656 . ?
U1 Rb4 U2 97.95(11) . . ?
O10 Rb4 Ge2 81.5(3) . 2_655 ?
O9 Rb4 Ge2 75.1(3) . 2_655 ?
O4 Rb4 Ge2 24.0(2) 2_655 2_655 ?
O1 Rb4 Ge2 64.4(2) . 2_655 ?
Rb4 Rb4 Ge2 136.75(19) 2_656 2_655 ?
U1 Rb4 Ge2 57.62(7) . 2_655 ?
U2 Rb4 Ge2 56.55(7) . 2_655 ?
O10 Rb4 Ge1 61.3(3) . . ?
O9 Rb4 Ge1 80.7(3) . . ?
O4 Rb4 Ge1 65.6(2) 2_655 . ?
O1 Rb4 Ge1 21.6(2) . . ?
Rb4 Rb4 Ge1 156.6(2) 2_656 . ?
U1 Rb4 Ge1 56.60(6) . . ?
U2 Rb4 Ge1 55.02(6) . . ?
Ge2 Rb4 Ge1 65.23(8) 2_655 . ?
O10 Rb4 Rb3 167.1(3) . . ?
O9 Rb4 Rb3 41.5(3) . . ?
O4 Rb4 Rb3 132.1(2) 2_655 . ?
O1 Rb4 Rb3 95.2(2) . . ?
Rb4 Rb4 Rb3 69.18(15) 2_656 . ?
U1 Rb4 Rb3 67.61(7) . . ?
U2 Rb4 Rb3 164.71(13) . . ?
Ge2 Rb4 Rb3 109.28(10) 2_655 . ?
Ge1 Rb4 Rb3 115.94(10) . . ?
O10 Rb4 Rb2 97.3(3) . . ?
O9 Rb4 Rb2 64.4(3) . . ?
O4 Rb4 Rb2 120.6(3) 2_655 . ?
O1 Rb4 Rb2 47.7(2) . . ?
Rb4 Rb4 Rb2 108.96(19) 2_656 . ?
U1 Rb4 Rb2 62.15(7) . . ?
U2 Rb4 Rb2 105.94(10) . . ?
Ge2 Rb4 Rb2 111.42(11) 2_655 . ?
Ge1 Rb4 Rb2 55.84(7) . . ?
Rb3 Rb4 Rb2 72.46(8) . . ?
O10 Rb4 Rb3 44.4(3) . 2_656 ?
O9 Rb4 Rb3 172.4(3) . 2_656 ?
O4 Rb4 Rb3 80.1(2) 2_655 2_656 ?
O1 Rb4 Rb3 127.1(2) . 2_656 ?
Rb4 Rb4 Rb3 65.82(13) 2_656 2_656 ?
U1 Rb4 Rb3 156.95(14) . 2_656 ?
U2 Rb4 Rb3 59.09(7) . 2_656 ?
Ge2 Rb4 Rb3 103.22(10) 2_655 2_656 ?
Ge1 Rb4 Rb3 105.49(10) . 2_656 ?
Rb3 Rb4 Rb3 135.01(12) . 2_656 ?
Rb2 Rb4 Rb3 122.68(10) . 2_656 ?
O1 Ge1 O3 111.7(5) . . ?
O1 Ge1 O7 114.2(6) . . ?
O3 Ge1 O7 110.6(6) . . ?
O1 Ge1 O2 105.8(6) . 2 ?
O3 Ge1 O2 108.7(6) . 2 ?
O7 Ge1 O2 105.4(7) . 2 ?
O1 Ge1 Rb2 76.2(4) . 2 ?
O3 Ge1 Rb2 49.9(4) . 2 ?
O7 Ge1 Rb2 160.2(5) . 2 ?
O2 Ge1 Rb2 86.7(5) 2 2 ?
O1 Ge1 Rb3 119.9(4) . 1_545 ?
O3 Ge1 Rb3 69.6(4) . 1_545 ?
O7 Ge1 Rb3 43.0(5) . 1_545 ?
O2 Ge1 Rb3 131.6(5) 2 1_545 ?
Rb2 Ge1 Rb3 117.43(6) 2 1_545 ?
O1 Ge1 Rb2 51.4(4) . . ?
O3 Ge1 Rb2 109.3(4) . . ?
O7 Ge1 Rb2 140.0(5) . . ?
O2 Ge1 Rb2 57.6(5) 2 . ?
Rb2 Ge1 Rb2 59.74(6) 2 . ?
Rb3 Ge1 Rb2 170.74(6) 1_545 . ?
O1 Ge1 Rb1 155.0(4) . 2_646 ?
O3 Ge1 Rb1 93.2(4) . 2_646 ?
O7 Ge1 Rb1 55.0(4) . 2_646 ?
O2 Ge1 Rb1 62.1(5) 2 2_646 ?
Rb2 Ge1 Rb1 121.88(5) 2 2_646 ?
Rb3 Ge1 Rb1 69.63(5) 1_545 2_646 ?
Rb2 Ge1 Rb1 119.57(5) . 2_646 ?
O1 Ge1 Rb4 40.2(4) . . ?
O3 Ge1 Rb4 150.4(4) . . ?
O7 Ge1 Rb4 82.7(5) . . ?
O2 Ge1 Rb4 92.0(5) 2 . ?
Rb2 Ge1 Rb4 113.04(8) 2 . ?
Rb3 Ge1 Rb4 112.26(8) 1_545 . ?
Rb2 Ge1 Rb4 63.91(7) . . ?
Rb1 Ge1 Rb4 115.59(7) 2_646 . ?
O5 Ge2 O8 116.0(7) . . ?
O5 Ge2 O4 115.0(6) . . ?
O8 Ge2 O4 113.0(6) . . ?
O5 Ge2 O2 107.1(6) . . ?
O8 Ge2 O2 102.7(7) . . ?
O4 Ge2 O2 100.7(5) . . ?
O5 Ge2 Rb1 60.5(4) . 1_464 ?
O8 Ge2 Rb1 167.6(5) . 1_464 ?
O4 Ge2 Rb1 78.2(4) . 1_464 ?
O2 Ge2 Rb1 68.8(5) . 1_464 ?
O5 Ge2 Rb1 123.9(4) . 2_655 ?
O8 Ge2 Rb1 118.6(6) . 2_655 ?
O4 Ge2 Rb1 51.4(4) . 2_655 ?
O2 Ge2 Rb1 49.3(4) . 2_655 ?
Rb1 Ge2 Rb1 63.45(6) 1_464 2_655 ?
O5 Ge2 Rb2 141.4(4) . 2 ?
O8 Ge2 Rb2 48.7(5) . 2 ?
O4 Ge2 Rb2 103.0(4) . 2 ?
O2 Ge2 Rb2 57.2(5) . 2 ?
Rb1 Ge2 Rb2 125.40(6) 1_464 2 ?
Rb1 Ge2 Rb2 75.21(6) 2_655 2 ?
O5 Ge2 Rb4 143.7(4) . 2_655 ?
O8 Ge2 Rb4 69.8(5) . 2_655 ?
O4 Ge2 Rb4 43.4(4) . 2_655 ?
O2 Ge2 Rb4 106.0(4) . 2_655 ?
Rb1 Ge2 Rb4 120.57(8) 1_464 2_655 ?
Rb1 Ge2 Rb4 70.17(7) 2_655 2_655 ?
Rb2 Ge2 Rb4 71.24(8) 2 2_655 ?
O5 Ge2 Rb2 86.1(4) . . ?
O8 Ge2 Rb2 45.3(5) . . ?
O4 Ge2 Rb2 156.9(4) . . ?
O2 Ge2 Rb2 80.5(4) . . ?
Rb1 Ge2 Rb2 122.70(6) 1_464 . ?
Rb1 Ge2 Rb2 125.39(6) 2_655 . ?
Rb2 Ge2 Rb2 57.95(6) 2 . ?
Rb4 Ge2 Rb2 113.77(8) 2_655 . ?
Ge1 O1 U1 142.7(7) . . ?
Ge1 O1 Rb4 118.2(5) . . ?
U1 O1 Rb4 91.4(4) . . ?
Ge1 O1 Rb2 103.3(4) . . ?
U1 O1 Rb2 100.0(4) . . ?
Rb4 O1 Rb2 87.3(3) . . ?
Ge1 O2 Ge2 128.9(8) 2 . ?
Ge1 O2 Rb1 123.4(6) 2 2_655 ?
Ge2 O2 Rb1 104.0(5) . 2_655 ?
Ge1 O2 Rb2 95.7(6) 2 2 ?
Ge2 O2 Rb2 96.3(6) . 2 ?
Rb1 O2 Rb2 97.0(4) 2_655 2 ?
Ge1 O2 Rb1 91.3(6) 2 1_464 ?
Ge2 O2 Rb1 83.0(5) . 1_464 ?
Rb1 O2 Rb1 75.0(3) 2_655 1_464 ?
Rb2 O2 Rb1 171.5(4) 2 1_464 ?
Ge1 O3 U3 129.4(5) . . ?
Ge1 O3 Rb2 104.5(6) . 2 ?
U3 O3 Rb2 99.0(4) . 2 ?
Ge1 O3 Rb3 121.1(5) . 2_655 ?
U3 O3 Rb3 100.9(4) . 2_655 ?
Rb2 O3 Rb3 93.8(3) 2 2_655 ?
Ge2 O4 U2 137.1(7) . 1_564 ?
Ge2 O4 Rb4 112.6(5) . 2_655 ?
U2 O4 Rb4 95.4(4) 1_564 2_655 ?
Ge2 O4 Rb1 102.1(4) . 2_655 ?
U2 O4 Rb1 106.4(4) 1_564 2_655 ?
Rb4 O4 Rb1 96.4(4) 2_655 2_655 ?
Ge2 O5 U3 132.9(7) . 1_565 ?
Ge2 O5 Rb3 124.7(5) . 2_665 ?
U3 O5 Rb3 101.6(6) 1_565 2_665 ?
Ge2 O5 Rb1 92.6(5) . 1_464 ?
U3 O5 Rb1 94.6(4) 1_565 1_464 ?
Rb3 O5 Rb1 91.6(4) 2_665 1_464 ?
U3 O6 Rb1 117.6(6) . 2_646 ?
U3 O6 Rb2 115.3(6) . 1_545 ?
Rb1 O6 Rb2 98.6(3) 2_646 1_545 ?
U3 O6 Rb3 116.3(4) . 1_545 ?
Rb1 O6 Rb3 96.1(4) 2_646 1_545 ?
Rb2 O6 Rb3 110.2(4) 1_545 1_545 ?
Ge1 O7 U2 137.2(8) . . ?
Ge1 O7 Rb3 112.5(6) . 1_545 ?
U2 O7 Rb3 104.0(4) . 1_545 ?
Ge1 O7 Rb1 99.0(5) . 2_646 ?
U2 O7 Rb1 100.5(4) . 2_646 ?
Rb3 O7 Rb1 93.3(4) 1_545 2_646 ?
Ge2 O8 U1 138.5(8) . . ?
Ge2 O8 Rb2 106.2(6) . 2 ?
U1 O8 Rb2 106.1(6) . 2 ?
Ge2 O8 Rb2 111.3(7) . . ?
U1 O8 Rb2 100.4(5) . . ?
Rb2 O8 Rb2 77.7(3) 2 . ?
U1 O9 Rb4 110.9(6) . . ?
U1 O9 Rb3 150.0(8) . . ?
Rb4 O9 Rb3 97.7(5) . . ?
U1 O9 Rb2 99.0(6) . 1_655 ?
Rb4 O9 Rb2 91.3(4) . 1_655 ?
Rb3 O9 Rb2 88.9(3) . 1_655 ?
U2 O10 Rb4 115.3(5) . . ?
U2 O10 Rb1 122.9(6) . 1_455 ?
Rb4 O10 Rb1 107.6(4) . 1_455 ?
U2 O10 Rb3 111.5(5) . 2_656 ?
Rb4 O10 Rb3 96.0(4) . 2_656 ?
Rb1 O10 Rb3 99.1(4) 1_455 2_656 ?
Rb1 OW1 Rb1 180.0 2_756 . ?
Rb1 OW1 Rb2 93.34(5) 2_756 2_656 ?
Rb1 OW1 Rb2 86.66(5) . 2_656 ?
Rb1 OW1 Rb2 86.66(5) 2_756 1_655 ?
Rb1 OW1 Rb2 93.34(5) . 1_655 ?
Rb2 OW1 Rb2 180.0 2_656 1_655 ?

_refine_diff_density_max         8.313
_refine_diff_density_min         -2.956
_refine_diff_density_rms         0.643

####################################################################### 
# 
# 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_Cs6(UO2)2Ge8O21
_database_code_depnum_ccdc_archive 'CCDC 1970232'
loop_
_audit_author_name
_audit_author_address
'Haijian Li'
;Forschungszentrum Juelich
Germany
;
_audit_update_record             
;
2019-12-05 deposited with the CCDC.	2020-01-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cs6 Ge8 O25 U2'
_chemical_formula_weight         2254.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   7.4500(3)
_cell_length_b                   7.8701(3)
_cell_length_c                   14.7132(6)
_cell_angle_alpha                91.077(3)
_cell_angle_beta                 96.005(3)
_cell_angle_gamma                117.601(4)
_cell_volume                     758.08(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3447
_cell_measurement_theta_min      2.7840
_cell_measurement_theta_max      32.2110

_exptl_crystal_description       Column
_exptl_crystal_colour            Green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.938
_exptl_crystal_F_000             970
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    25.635
_shelx_estimated_absorpt_T_min   0.027
_shelx_estimated_absorpt_T_max   0.184
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.003
_exptl_absorpt_correction_T_max  0.077
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 15.9834
_diffrn_reflns_number            7010
_diffrn_reflns_av_unetI/netI     0.0423
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.792
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.282
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.282
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.282
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3758
_reflns_number_gt                3350
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0284P)²+10.9641P] 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_number_reflns         3758
_refine_ls_number_parameters     203
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0816
_refine_ls_wR_factor_gt          0.0780
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.022
_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
U1 U 1.000000 0.500000 0.000000 0.01477(9) Uani 1 2 d S . P . .
U2 U 1.000000 1.000000 0.500000 0.01298(8) Uani 1 2 d S . P . .
Cs1 Cs 0.2493(3) 0.6044(2) 0.47167(14) 0.0381(4) Uani 0.5 1 d . . P . .
Cs2 Cs 0.22740(7) 0.85626(7) 0.22889(4) 0.02375(11) Uani 1 1 d . . . . .
Cs3 Cs 0.67181(9) 0.80844(8) 0.04360(4) 0.03241(13) Uani 1 1 d . . . . .
Cs4 Cs 0.6711(4) 1.3211(4) 0.49288(17) 0.0670(7) Uani 0.5 1 d . . P . .
Ge1 Ge 0.88573(11) 0.11770(10) 0.27529(5) 0.01342(14) Uani 1 1 d . . . . .
Ge2 Ge 0.66772(10) 0.67081(9) 0.32502(5) 0.01079(14) Uani 1 1 d . . . . .
Ge3 Ge 0.71692(16) 0.37704(11) 0.20204(6) 0.0325(2) Uani 1 1 d . . . . .
Ge4 Ge 1.27466(16) 0.39110(11) 0.19533(6) 0.0351(2) Uani 1 1 d . . . . .
O1 O 1.0164(12) 0.3978(12) 0.2515(6) 0.0086(16) Uani 0.5 1 d . U P . .
O2 O 0.7085(7) 0.7381(7) 0.4403(4) 0.0182(10) Uani 1 1 d . . . . .
O3 O 0.7698(7) 0.5130(7) 0.3073(4) 0.0158(10) Uani 1 1 d . . . . .
O4 O 1.4026(7) 0.5514(7) 0.2936(4) 0.0189(11) Uani 1 1 d . . . . .
O5 O 1.1286(9) 0.7623(8) 0.0092(4) 0.0277(12) Uani 1 1 d . . . . .
O6 O 0.7738(8) -0.1413(7) 0.2550(4) 0.0213(11) Uani 1 1 d . . . . .
O7 O 0.8379(9) 0.5073(8) 0.1169(4) 0.0294(13) Uani 1 1 d . . . . .
O8 O 0.6789(7) 0.1418(8) 0.2195(4) 0.0228(11) Uani 1 1 d . . . . .
O9 O 1.2476(9) 0.5093(8) 0.1023(4) 0.0283(13) Uani 1 1 d . . . . .
O10 O 1.1435(8) 0.9371(8) 0.4249(4) 0.0237(11) Uani 1 1 d . . . . .
O11 O 0.9315(9) 0.1672(8) 0.3934(4) 0.0252(12) Uani 1 1 d . . . . .
O12 O 1.0888(9) 0.1662(10) 0.2125(5) 0.0442(18) Uani 1 1 d . . . . .
O13 O 0.4552(10) 0.3152(10) 0.1653(5) 0.0410(16) 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
U1 O5 1.824(5) 2_765 ?
U1 O5 1.824(5) . ?
U1 O7 2.217(5) . ?
U1 O7 2.217(5) 2_765 ?
U1 O9 2.228(6) 2_765 ?
U1 O9 2.228(6) . ?
U1 Cs2 4.0153(6) 1_655 ?
U1 Cs2 4.0153(6) 2_665 ?
U1 Cs3 4.2487(6) . ?
U1 Cs3 4.2487(6) 2_765 ?
U1 Cs3 4.4006(6) 1_655 ?
U1 Cs3 4.4006(6) 2_665 ?
U2 O10 1.824(5) 2_776 ?
U2 O10 1.824(5) . ?
U2 O11 2.233(6) 2_766 ?
U2 O11 2.233(6) 1_565 ?
U2 O2 2.263(5) 2_776 ?
U2 O2 2.263(5) . ?
U2 Ge2 3.4555(7) 2_776 ?
U2 Ge2 3.4556(7) . ?
U2 Cs4 4.2543(19) . ?
U2 Cs4 4.2543(19) 2_776 ?
U2 Cs1 4.2776(18) 2_666 ?
U2 Cs1 4.2776(18) 1_665 ?
Cs1 Cs4 0.754(3) 2_676 ?
Cs1 O4 3.061(6) 1_455 ?
Cs1 O10 3.133(6) 1_455 ?
Cs1 O2 3.142(6) 2_666 ?
Cs1 O2 3.168(5) . ?
Cs1 O11 3.241(6) 1_455 ?
Cs1 O3 3.396(6) 2_666 ?
Cs1 O11 3.414(6) 2_666 ?
Cs1 O1 3.487(9) 1_455 ?
Cs1 Cs1 3.498(4) 2_566 ?
Cs1 Ge2 3.819(2) . ?
Cs1 Cs4 3.877(3) 1_445 ?
Cs2 O12 3.063(8) 1_465 ?
Cs2 O8 3.080(5) 1_565 ?
Cs2 O10 3.129(5) 1_455 ?
Cs2 O7 3.182(6) 1_455 ?
Cs2 O5 3.231(6) 1_455 ?
Cs2 O1 3.240(8) 1_455 ?
Cs2 O4 3.331(5) 1_455 ?
Cs2 O9 3.347(6) 1_455 ?
Cs2 O13 3.403(7) 1_565 ?
Cs2 O6 3.450(5) 1_465 ?
Cs2 O3 3.558(5) 1_455 ?
Cs2 Ge4 3.8643(11) 1_455 ?
Cs3 O6 3.097(5) 1_565 ?
Cs3 O13 3.117(8) 2_665 ?
Cs3 O5 3.149(5) 2_775 ?
Cs3 O9 3.166(6) 1_455 ?
Cs3 O7 3.293(6) . ?
Cs3 O9 3.560(6) 2_765 ?
Cs3 O8 3.629(6) 1_565 ?
Cs3 O5 3.670(6) . ?
Cs3 O12 3.711(6) 1_565 ?
Cs3 Ge1 3.8783(9) 1_565 ?
Cs3 Ge4 3.9560(12) 2_765 ?
Cs3 Ge4 4.1447(11) 1_455 ?
Cs4 O2 2.926(5) 2_676 ?
Cs4 O3 3.134(6) 1_565 ?
Cs4 O10 3.138(6) 2_776 ?
Cs4 O11 3.175(6) 1_565 ?
Cs4 O2 3.277(6) 1_565 ?
Cs4 O4 3.454(6) 2_776 ?
Cs4 O10 3.693(6) 1_455 ?
Cs4 Ge2 3.739(2) 1_565 ?
Cs4 Ge2 3.887(2) 2_676 ?
Ge1 O11 1.736(6) . ?
Ge1 O12 1.749(6) . ?
Ge1 O8 1.760(5) . ?
Ge1 O6 1.813(5) . ?
Ge1 O1 2.011(8) . ?
Ge2 O2 1.720(5) . ?
Ge2 O6 1.737(5) 1_565 ?
Ge2 O4 1.752(5) 1_455 ?
Ge2 O3 1.759(5) . ?
Ge3 O7 1.692(6) . ?
Ge3 O3 1.766(5) . ?
Ge3 O8 1.767(6) . ?
Ge3 O13 1.794(7) . ?
Ge3 O1 2.202(8) . ?
Ge4 O12 1.712(6) . ?
Ge4 O9 1.716(6) . ?
Ge4 O4 1.766(5) . ?
Ge4 O13 1.794(7) 1_655 ?
Ge4 O1 2.194(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
O5 U1 O5 180.00(17) 2_765 . ?
O5 U1 O7 91.5(2) 2_765 . ?
O5 U1 O7 88.5(2) . . ?
O5 U1 O7 88.5(2) 2_765 2_765 ?
O5 U1 O7 91.5(2) . 2_765 ?
O7 U1 O7 180.0 . 2_765 ?
O5 U1 O9 88.7(2) 2_765 2_765 ?
O5 U1 O9 91.3(2) . 2_765 ?
O7 U1 O9 92.4(2) . 2_765 ?
O7 U1 O9 87.6(2) 2_765 2_765 ?
O5 U1 O9 91.3(2) 2_765 . ?
O5 U1 O9 88.7(2) . . ?
O7 U1 O9 87.6(2) . . ?
O7 U1 O9 92.4(2) 2_765 . ?
O9 U1 O9 180.0 2_765 . ?
O5 U1 Cs2 127.96(19) 2_765 1_655 ?
O5 U1 Cs2 52.05(19) . 1_655 ?
O7 U1 Cs2 52.19(16) . 1_655 ?
O7 U1 Cs2 127.81(16) 2_765 1_655 ?
O9 U1 Cs2 123.54(15) 2_765 1_655 ?
O9 U1 Cs2 56.46(15) . 1_655 ?
O5 U1 Cs2 52.04(19) 2_765 2_665 ?
O5 U1 Cs2 127.95(19) . 2_665 ?
O7 U1 Cs2 127.81(16) . 2_665 ?
O7 U1 Cs2 52.19(16) 2_765 2_665 ?
O9 U1 Cs2 56.46(15) 2_765 2_665 ?
O9 U1 Cs2 123.54(15) . 2_665 ?
Cs2 U1 Cs2 180.000(13) 1_655 2_665 ?
O5 U1 Cs3 120.70(19) 2_765 . ?
O5 U1 Cs3 59.30(19) . . ?
O7 U1 Cs3 49.94(16) . . ?
O7 U1 Cs3 130.06(16) 2_765 . ?
O9 U1 Cs3 56.89(16) 2_765 . ?
O9 U1 Cs3 123.11(16) . . ?
Cs2 U1 Cs3 67.038(11) 1_655 . ?
Cs2 U1 Cs3 112.962(11) 2_665 . ?
O5 U1 Cs3 59.30(19) 2_765 2_765 ?
O5 U1 Cs3 120.70(19) . 2_765 ?
O7 U1 Cs3 130.06(16) . 2_765 ?
O7 U1 Cs3 49.94(16) 2_765 2_765 ?
O9 U1 Cs3 123.11(16) 2_765 2_765 ?
O9 U1 Cs3 56.89(16) . 2_765 ?
Cs2 U1 Cs3 112.962(11) 1_655 2_765 ?
Cs2 U1 Cs3 67.038(11) 2_665 2_765 ?
Cs3 U1 Cs3 180.000(15) . 2_765 ?
O5 U1 Cs3 118.76(19) 2_765 1_655 ?
O5 U1 Cs3 61.24(19) . 1_655 ?
O7 U1 Cs3 117.31(17) . 1_655 ?
O7 U1 Cs3 62.69(17) 2_765 1_655 ?
O9 U1 Cs3 136.84(14) 2_765 1_655 ?
O9 U1 Cs3 43.16(14) . 1_655 ?
Cs2 U1 Cs3 66.753(11) 1_655 1_655 ?
Cs2 U1 Cs3 113.247(11) 2_665 1_655 ?
Cs3 U1 Cs3 118.923(13) . 1_655 ?
Cs3 U1 Cs3 61.077(13) 2_765 1_655 ?
O5 U1 Cs3 61.24(19) 2_765 2_665 ?
O5 U1 Cs3 118.76(19) . 2_665 ?
O7 U1 Cs3 62.69(17) . 2_665 ?
O7 U1 Cs3 117.31(17) 2_765 2_665 ?
O9 U1 Cs3 43.16(14) 2_765 2_665 ?
O9 U1 Cs3 136.84(14) . 2_665 ?
Cs2 U1 Cs3 113.247(11) 1_655 2_665 ?
Cs2 U1 Cs3 66.753(11) 2_665 2_665 ?
Cs3 U1 Cs3 61.077(13) . 2_665 ?
Cs3 U1 Cs3 118.923(13) 2_765 2_665 ?
Cs3 U1 Cs3 180.0 1_655 2_665 ?
O10 U2 O10 180.0 2_776 . ?
O10 U2 O11 91.5(2) 2_776 2_766 ?
O10 U2 O11 88.5(2) . 2_766 ?
O10 U2 O11 88.5(2) 2_776 1_565 ?
O10 U2 O11 91.5(2) . 1_565 ?
O11 U2 O11 180.0(2) 2_766 1_565 ?
O10 U2 O2 90.2(2) 2_776 2_776 ?
O10 U2 O2 89.8(2) . 2_776 ?
O11 U2 O2 88.1(2) 2_766 2_776 ?
O11 U2 O2 91.9(2) 1_565 2_776 ?
O10 U2 O2 89.8(2) 2_776 . ?
O10 U2 O2 90.2(2) . . ?
O11 U2 O2 91.9(2) 2_766 . ?
O11 U2 O2 88.1(2) 1_565 . ?
O2 U2 O2 180.0 2_776 . ?
O10 U2 Ge2 70.34(18) 2_776 2_776 ?
O10 U2 Ge2 109.66(18) . 2_776 ?
O11 U2 Ge2 73.18(14) 2_766 2_776 ?
O11 U2 Ge2 106.82(14) 1_565 2_776 ?
O2 U2 Ge2 25.60(13) 2_776 2_776 ?
O2 U2 Ge2 154.41(13) . 2_776 ?
O10 U2 Ge2 109.66(18) 2_776 . ?
O10 U2 Ge2 70.34(18) . . ?
O11 U2 Ge2 106.82(14) 2_766 . ?
O11 U2 Ge2 73.18(14) 1_565 . ?
O2 U2 Ge2 154.40(13) 2_776 . ?
O2 U2 Ge2 25.59(13) . . ?
Ge2 U2 Ge2 180.0 2_776 . ?
O10 U2 Cs4 41.74(18) 2_776 . ?
O10 U2 Cs4 138.26(18) . . ?
O11 U2 Cs4 133.20(15) 2_766 . ?
O11 U2 Cs4 46.80(15) 1_565 . ?
O2 U2 Cs4 91.17(13) 2_776 . ?
O2 U2 Cs4 88.83(13) . . ?
Ge2 U2 Cs4 86.78(4) 2_776 . ?
Ge2 U2 Cs4 93.22(4) . . ?
O10 U2 Cs4 138.26(18) 2_776 2_776 ?
O10 U2 Cs4 41.74(18) . 2_776 ?
O11 U2 Cs4 46.80(15) 2_766 2_776 ?
O11 U2 Cs4 133.20(15) 1_565 2_776 ?
O2 U2 Cs4 88.83(13) 2_776 2_776 ?
O2 U2 Cs4 91.17(13) . 2_776 ?
Ge2 U2 Cs4 93.22(4) 2_776 2_776 ?
Ge2 U2 Cs4 86.78(4) . 2_776 ?
Cs4 U2 Cs4 180.0 . 2_776 ?
O10 U2 Cs1 100.96(18) 2_776 2_666 ?
O10 U2 Cs1 79.04(18) . 2_666 ?
O11 U2 Cs1 48.00(15) 2_766 2_666 ?
O11 U2 Cs1 132.00(15) 1_565 2_666 ?
O2 U2 Cs1 134.39(13) 2_776 2_666 ?
O2 U2 Cs1 45.61(14) . 2_666 ?
Ge2 U2 Cs1 120.76(3) 2_776 2_666 ?
Ge2 U2 Cs1 59.24(3) . 2_666 ?
Cs4 U2 Cs1 125.95(4) . 2_666 ?
Cs4 U2 Cs1 54.05(4) 2_776 2_666 ?
O10 U2 Cs1 79.04(18) 2_776 1_665 ?
O10 U2 Cs1 100.96(18) . 1_665 ?
O11 U2 Cs1 132.00(15) 2_766 1_665 ?
O11 U2 Cs1 48.00(15) 1_565 1_665 ?
O2 U2 Cs1 45.61(13) 2_776 1_665 ?
O2 U2 Cs1 134.39(13) . 1_665 ?
Ge2 U2 Cs1 59.24(3) 2_776 1_665 ?
Ge2 U2 Cs1 120.76(3) . 1_665 ?
Cs4 U2 Cs1 54.05(4) . 1_665 ?
Cs4 U2 Cs1 125.95(4) 2_776 1_665 ?
Cs1 U2 Cs1 180.0 2_666 1_665 ?
Cs4 Cs1 O4 115.5(3) 2_676 1_455 ?
Cs4 Cs1 O10 83.4(3) 2_676 1_455 ?
O4 Cs1 O10 100.44(15) 1_455 1_455 ?
Cs4 Cs1 O2 93.6(3) 2_676 2_666 ?
O4 Cs1 O2 93.67(14) 1_455 2_666 ?
O10 Cs1 O2 165.50(15) 1_455 2_666 ?
Cs4 Cs1 O2 64.6(3) 2_676 . ?
O4 Cs1 O2 53.09(13) 1_455 . ?
O10 Cs1 O2 108.46(15) 1_455 . ?
O2 Cs1 O2 82.73(14) 2_666 . ?
Cs4 Cs1 O11 153.4(3) 2_676 1_455 ?
O4 Cs1 O11 75.88(14) 1_455 1_455 ?
O10 Cs1 O11 119.42(16) 1_455 1_455 ?
O2 Cs1 O11 60.81(14) 2_666 1_455 ?
O2 Cs1 O11 114.71(14) . 1_455 ?
Cs4 Cs1 O3 63.5(3) 2_676 2_666 ?
O4 Cs1 O3 142.82(14) 1_455 2_666 ?
O10 Cs1 O3 115.75(14) 1_455 2_666 ?
O2 Cs1 O3 51.01(12) 2_666 2_666 ?
O2 Cs1 O3 104.38(13) . 2_666 ?
O11 Cs1 O3 92.56(14) 1_455 2_666 ?
Cs4 Cs1 O11 65.4(3) 2_676 2_666 ?
O4 Cs1 O11 151.72(15) 1_455 2_666 ?
O10 Cs1 O11 51.32(14) 1_455 2_666 ?
O2 Cs1 O11 114.60(15) 2_666 2_666 ?
O2 Cs1 O11 127.76(14) . 2_666 ?
O11 Cs1 O11 116.64(11) 1_455 2_666 ?
O3 Cs1 O11 64.78(13) 2_666 2_666 ?
Cs4 Cs1 O1 156.2(3) 2_676 1_455 ?
O4 Cs1 O1 45.25(16) 1_455 1_455 ?
O10 Cs1 O1 86.85(18) 1_455 1_455 ?
O2 Cs1 O1 100.92(17) 2_666 1_455 ?
O2 Cs1 O1 98.34(17) . 1_455 ?
O11 Cs1 O1 47.56(17) 1_455 1_455 ?
O3 Cs1 O1 139.83(17) 2_666 1_455 ?
O11 Cs1 O1 123.16(17) 2_666 1_455 ?
Cs4 Cs1 Cs1 115.0(3) 2_676 2_566 ?
O4 Cs1 Cs1 129.30(12) 1_455 2_566 ?
O10 Cs1 Cs1 81.09(12) 1_455 2_566 ?
O2 Cs1 Cs1 87.40(11) 2_666 2_566 ?
O2 Cs1 Cs1 170.04(14) . 2_566 ?
O11 Cs1 Cs1 60.74(11) 1_455 2_566 ?
O3 Cs1 Cs1 68.00(10) 2_666 2_566 ?
O11 Cs1 Cs1 55.90(11) 2_666 2_566 ?
O1 Cs1 Cs1 84.76(15) 1_455 2_566 ?
Cs4 Cs1 Ge2 89.5(3) 2_676 . ?
O4 Cs1 Ge2 26.71(9) 1_455 . ?
O10 Cs1 Ge2 104.69(11) 1_455 . ?
O2 Cs1 Ge2 89.44(10) 2_666 . ?
O2 Cs1 Ge2 26.45(10) . . ?
O11 Cs1 Ge2 96.68(11) 1_455 . ?
O3 Cs1 Ge2 126.62(9) 2_666 . ?
O11 Cs1 Ge2 145.22(11) 2_666 . ?
O1 Cs1 Ge2 71.94(14) 1_455 . ?
Cs1 Cs1 Ge2 155.43(9) 2_566 . ?
Cs4 Cs1 Cs4 125.1(3) 2_676 1_445 ?
O4 Cs1 Cs4 119.18(12) 1_455 1_445 ?
O10 Cs1 Cs4 83.25(11) 1_455 1_445 ?
O2 Cs1 Cs4 86.95(10) 2_666 1_445 ?
O2 Cs1 Cs4 166.40(11) . 1_445 ?
O11 Cs1 Cs4 52.05(11) 1_455 1_445 ?
O3 Cs1 Cs4 75.45(9) 2_666 1_445 ?
O11 Cs1 Cs4 64.87(10) 2_666 1_445 ?
O1 Cs1 Cs4 74.90(15) 1_455 1_445 ?
Cs1 Cs1 Cs4 10.16(5) 2_566 1_445 ?
Ge2 Cs1 Cs4 145.29(7) . 1_445 ?
O12 Cs2 O8 93.64(15) 1_465 1_565 ?
O12 Cs2 O10 73.78(16) 1_465 1_455 ?
O8 Cs2 O10 105.39(15) 1_565 1_455 ?
O12 Cs2 O7 99.01(16) 1_465 1_455 ?
O8 Cs2 O7 142.76(15) 1_565 1_455 ?
O10 Cs2 O7 111.75(14) 1_455 1_455 ?
O12 Cs2 O5 90.04(16) 1_465 1_455 ?
O8 Cs2 O5 92.94(15) 1_565 1_455 ?
O10 Cs2 O5 156.04(15) 1_455 1_455 ?
O7 Cs2 O5 52.46(14) 1_455 1_455 ?
O12 Cs2 O1 136.88(18) 1_465 1_455 ?
O8 Cs2 O1 129.48(17) 1_565 1_455 ?
O10 Cs2 O1 91.40(19) 1_455 1_455 ?
O7 Cs2 O1 48.68(19) 1_455 1_455 ?
O5 Cs2 O1 88.57(19) 1_455 1_455 ?
O12 Cs2 O4 167.85(16) 1_465 1_455 ?
O8 Cs2 O4 85.05(13) 1_565 1_455 ?
O10 Cs2 O4 94.89(14) 1_455 1_455 ?
O7 Cs2 O4 89.16(14) 1_455 1_455 ?
O5 Cs2 O4 102.08(14) 1_455 1_455 ?
O1 Cs2 O4 45.64(17) 1_455 1_455 ?
O12 Cs2 O9 141.02(16) 1_465 1_455 ?
O8 Cs2 O9 93.02(14) 1_565 1_455 ?
O10 Cs2 O9 140.13(14) 1_455 1_455 ?
O7 Cs2 O9 56.14(14) 1_455 1_455 ?
O5 Cs2 O9 51.27(14) 1_455 1_455 ?
O1 Cs2 O9 50.90(18) 1_455 1_455 ?
O4 Cs2 O9 51.11(14) 1_455 1_455 ?
O12 Cs2 O13 47.09(15) 1_465 1_565 ?
O8 Cs2 O13 48.39(15) 1_565 1_565 ?
O10 Cs2 O13 99.04(16) 1_455 1_565 ?
O7 Cs2 O13 125.03(17) 1_455 1_565 ?
O5 Cs2 O13 81.51(16) 1_455 1_565 ?
O1 Cs2 O13 169.5(2) 1_455 1_565 ?
O4 Cs2 O13 133.39(14) 1_455 1_565 ?
O9 Cs2 O13 119.14(15) 1_455 1_565 ?
O12 Cs2 O6 46.96(13) 1_465 1_465 ?
O8 Cs2 O6 139.57(13) 1_565 1_465 ?
O10 Cs2 O6 60.75(13) 1_455 1_465 ?
O7 Cs2 O6 66.37(13) 1_455 1_465 ?
O5 Cs2 O6 95.29(14) 1_455 1_465 ?
O1 Cs2 O6 90.29(16) 1_455 1_465 ?
O4 Cs2 O6 131.13(12) 1_455 1_465 ?
O9 Cs2 O6 122.49(13) 1_455 1_465 ?
O13 Cs2 O6 93.95(14) 1_565 1_465 ?
O12 Cs2 O3 94.30(13) 1_465 1_455 ?
O8 Cs2 O3 162.45(13) 1_565 1_455 ?
O10 Cs2 O3 62.15(13) 1_455 1_455 ?
O7 Cs2 O3 50.64(13) 1_455 1_455 ?
O5 Cs2 O3 102.68(13) 1_455 1_455 ?
O1 Cs2 O3 44.46(16) 1_455 1_455 ?
O4 Cs2 O3 83.91(11) 1_455 1_455 ?
O9 Cs2 O3 90.62(12) 1_455 1_455 ?
O13 Cs2 O3 141.37(13) 1_565 1_455 ?
O6 Cs2 O3 47.60(11) 1_465 1_455 ?
O12 Cs2 Ge4 163.76(12) 1_465 1_455 ?
O8 Cs2 Ge4 96.97(10) 1_565 1_455 ?
O10 Cs2 Ge4 114.80(10) 1_455 1_455 ?
O7 Cs2 Ge4 65.27(11) 1_455 1_455 ?
O5 Cs2 Ge4 77.20(10) 1_455 1_455 ?
O1 Cs2 Ge4 34.58(14) 1_455 1_455 ?
O4 Cs2 Ge4 27.14(9) 1_455 1_455 ?
O9 Cs2 Ge4 26.30(10) 1_455 1_455 ?
O13 Cs2 Ge4 138.07(11) 1_565 1_455 ?
O6 Cs2 Ge4 123.45(8) 1_465 1_455 ?
O3 Cs2 Ge4 79.04(8) 1_455 1_455 ?
O6 Cs3 O13 170.38(16) 1_565 2_665 ?
O6 Cs3 O5 102.00(14) 1_565 2_775 ?
O13 Cs3 O5 87.49(17) 2_665 2_775 ?
O6 Cs3 O9 79.13(15) 1_565 1_455 ?
O13 Cs3 O9 95.11(17) 2_665 1_455 ?
O5 Cs3 O9 136.54(15) 2_775 1_455 ?
O6 Cs3 O7 69.29(14) 1_565 . ?
O13 Cs3 O7 102.79(16) 2_665 . ?
O5 Cs3 O7 136.16(15) 2_775 . ?
O9 Cs3 O7 85.53(14) 1_455 . ?
O6 Cs3 O9 124.85(14) 1_565 2_765 ?
O13 Cs3 O9 47.95(16) 2_665 2_765 ?
O5 Cs3 O9 114.34(14) 2_775 2_765 ?
O9 Cs3 O9 98.59(13) 1_455 2_765 ?
O7 Cs3 O9 55.67(14) . 2_765 ?
O6 Cs3 O8 46.06(13) 1_565 1_565 ?
O13 Cs3 O8 141.98(15) 2_665 1_565 ?
O5 Cs3 O8 66.73(14) 2_775 1_565 ?
O9 Cs3 O8 86.46(14) 1_455 1_565 ?
O7 Cs3 O8 115.19(14) . 1_565 ?
O9 Cs3 O8 168.76(13) 2_765 1_565 ?
O6 Cs3 O5 93.37(14) 1_565 . ?
O13 Cs3 O5 84.60(15) 2_665 . ?
O5 Cs3 O5 92.32(14) 2_775 . ?
O9 Cs3 O5 131.14(13) 1_455 . ?
O7 Cs3 O5 47.67(13) . . ?
O9 Cs3 O5 47.45(13) 2_765 . ?
O8 Cs3 O5 122.13(12) 1_565 . ?
O6 Cs3 O12 44.11(14) 1_565 1_565 ?
O13 Cs3 O12 142.93(16) 2_665 1_565 ?
O5 Cs3 O12 63.86(16) 2_775 1_565 ?
O9 Cs3 O12 121.77(15) 1_455 1_565 ?
O7 Cs3 O12 85.18(17) . 1_565 ?
O9 Cs3 O12 121.59(15) 2_765 1_565 ?
O8 Cs3 O12 47.94(14) 1_565 1_565 ?
O5 Cs3 O12 74.23(15) . 1_565 ?
O6 Cs3 Ge1 27.31(9) 1_565 1_565 ?
O13 Cs3 Ge1 162.29(13) 2_665 1_565 ?
O5 Cs3 Ge1 74.86(11) 2_775 1_565 ?
O9 Cs3 Ge1 96.68(11) 1_455 1_565 ?
O7 Cs3 Ge1 91.28(11) . 1_565 ?
O9 Cs3 Ge1 141.95(10) 2_765 1_565 ?
O8 Cs3 Ge1 26.85(8) 1_565 1_565 ?
O5 Cs3 Ge1 97.41(9) . 1_565 ?
O12 Cs3 Ge1 26.54(10) 1_565 1_565 ?
O6 Cs3 Ge4 149.04(10) 1_565 2_765 ?
O13 Cs3 Ge4 26.11(12) 2_665 2_765 ?
O5 Cs3 Ge4 93.41(11) 2_775 2_765 ?
O9 Cs3 Ge4 107.60(11) 1_455 2_765 ?
O7 Cs3 Ge4 80.95(10) . 2_765 ?
O9 Cs3 Ge4 25.71(9) 2_765 2_765 ?
O8 Cs3 Ge4 159.89(9) 1_565 2_765 ?
O5 Cs3 Ge4 58.98(10) . 2_765 ?
O12 Cs3 Ge4 127.22(10) 1_565 2_765 ?
Ge1 Cs3 Ge4 153.71(2) 1_565 2_765 ?
O6 Cs3 Ge4 61.85(9) 1_565 1_455 ?
O13 Cs3 Ge4 110.47(12) 2_665 1_455 ?
O5 Cs3 Ge4 148.40(11) 2_775 1_455 ?
O9 Cs3 Ge4 22.44(11) 1_455 1_455 ?
O7 Cs3 Ge4 66.81(10) . 1_455 ?
O9 Cs3 Ge4 96.61(9) 2_765 1_455 ?
O8 Cs3 Ge4 84.21(9) 1_565 1_455 ?
O5 Cs3 Ge4 114.43(9) . 1_455 ?
O12 Cs3 Ge4 105.96(10) 1_565 1_455 ?
Ge1 Cs3 Ge4 84.81(2) 1_565 1_455 ?
Ge4 Cs3 Ge4 114.30(2) 2_765 1_455 ?
Cs1 Cs4 O2 101.9(3) 2_676 2_676 ?
Cs1 Cs4 O3 104.0(3) 2_676 1_565 ?
O2 Cs4 O3 117.75(15) 2_676 1_565 ?
Cs1 Cs4 O10 82.8(3) 2_676 2_776 ?
O2 Cs4 O10 114.92(15) 2_676 2_776 ?
O3 Cs4 O10 123.77(14) 1_565 2_776 ?
Cs1 Cs4 O11 102.1(3) 2_676 1_565 ?
O2 Cs4 O11 151.36(17) 2_676 1_565 ?
O3 Cs4 O11 70.65(14) 1_565 1_565 ?
O10 Cs4 O11 53.60(14) 2_776 1_565 ?
Cs1 Cs4 O2 73.1(3) 2_676 1_565 ?
O2 Cs4 O2 84.29(14) 2_676 1_565 ?
O3 Cs4 O2 52.23(13) 1_565 1_565 ?
O10 Cs4 O2 152.08(16) 2_776 1_565 ?
O11 Cs4 O2 117.61(15) 1_565 1_565 ?
Cs1 Cs4 O4 53.1(3) 2_676 2_776 ?
O2 Cs4 O4 50.95(13) 2_676 2_776 ?
O3 Cs4 O4 136.57(14) 1_565 2_776 ?
O10 Cs4 O4 92.34(14) 2_776 2_776 ?
O11 Cs4 O4 142.60(15) 1_565 2_776 ?
O2 Cs4 O4 84.44(14) 1_565 2_776 ?
Cs1 Cs4 O10 149.9(3) 2_676 1_455 ?
O2 Cs4 O10 50.40(13) 2_676 1_455 ?
O3 Cs4 O10 100.54(15) 1_565 1_455 ?
O10 Cs4 O10 97.89(14) 2_776 1_455 ?
O11 Cs4 O10 102.27(15) 1_565 1_455 ?
O2 Cs4 O10 110.03(13) 1_565 1_455 ?
O4 Cs4 O10 96.88(12) 2_776 1_455 ?
Cs1 Cs4 Ge2 95.8(3) 2_676 1_565 ?
O2 Cs4 Ge2 94.42(11) 2_676 1_565 ?
O3 Cs4 Ge2 27.92(8) 1_565 1_565 ?
O10 Cs4 Ge2 150.36(11) 2_776 1_565 ?
O11 Cs4 Ge2 98.42(11) 1_565 1_565 ?
O2 Cs4 Ge2 27.37(9) 1_565 1_565 ?
O4 Cs4 Ge2 110.50(11) 2_776 1_565 ?
O10 Cs4 Ge2 97.82(11) 1_455 1_565 ?
Cs1 Cs4 Cs1 54.9(3) 2_676 1_665 ?
O2 Cs4 Cs1 154.72(14) 2_676 1_665 ?
O3 Cs4 Cs1 65.74(9) 1_565 1_665 ?
O10 Cs4 Cs1 75.19(11) 2_776 1_665 ?
O11 Cs4 Cs1 53.60(11) 1_565 1_665 ?
O2 Cs4 Cs1 79.43(10) 1_565 1_665 ?
O4 Cs4 Cs1 107.85(12) 2_776 1_665 ?
O10 Cs4 Cs1 154.44(11) 1_455 1_665 ?
Ge2 Cs4 Cs1 79.82(4) 1_565 1_665 ?
Cs1 Cs4 Ge2 79.3(3) 2_676 2_676 ?
O2 Cs4 Ge2 24.41(10) 2_676 2_676 ?
O3 Cs4 Ge2 133.15(10) 1_565 2_676 ?
O10 Cs4 Ge2 103.07(11) 2_776 2_676 ?
O11 Cs4 Ge2 155.57(12) 1_565 2_676 ?
O2 Cs4 Ge2 86.34(10) 1_565 2_676 ?
O4 Cs4 Ge2 26.79(8) 2_776 2_676 ?
O10 Cs4 Ge2 71.22(9) 1_455 2_676 ?
Ge2 Cs4 Ge2 105.73(5) 1_565 2_676 ?
Cs1 Cs4 Ge2 134.11(9) 1_665 2_676 ?
Cs1 Cs4 U2 91.1(3) 2_676 . ?
O2 Cs4 U2 133.72(12) 2_676 . ?
O3 Cs4 U2 101.21(9) 1_565 . ?
O10 Cs4 U2 22.77(10) 2_776 . ?
O11 Cs4 U2 30.84(10) 1_565 . ?
O2 Cs4 U2 141.69(10) 1_565 . ?
O4 Cs4 U2 114.04(10) 2_776 . ?
O10 Cs4 U2 101.04(10) 1_455 . ?
Ge2 Cs4 U2 128.58(5) 1_565 . ?
Cs1 Cs4 U2 63.28(3) 1_665 . ?
Ge2 Cs4 U2 125.59(5) 2_676 . ?
O11 Ge1 O12 120.1(3) . . ?
O11 Ge1 O8 115.6(3) . . ?
O12 Ge1 O8 116.4(3) . . ?
O11 Ge1 O6 106.5(3) . . ?
O12 Ge1 O6 94.6(3) . . ?
O8 Ge1 O6 97.0(3) . . ?
O11 Ge1 O1 92.9(3) . . ?
O12 Ge1 O1 71.6(3) . . ?
O8 Ge1 O1 77.6(3) . . ?
O6 Ge1 O1 160.2(3) . . ?
O11 Ge1 Cs3 157.62(19) . 1_545 ?
O12 Ge1 Cs3 71.4(2) . 1_545 ?
O8 Ge1 Cs3 68.65(19) . 1_545 ?
O6 Ge1 Cs3 51.59(17) . 1_545 ?
O1 Ge1 Cs3 109.3(3) . 1_545 ?
O11 Ge1 Cs2 103.36(19) . 1_645 ?
O12 Ge1 Cs2 44.9(3) . 1_645 ?
O8 Ge1 Cs2 138.95(19) . 1_645 ?
O6 Ge1 Cs2 58.17(17) . 1_645 ?
O1 Ge1 Cs2 114.1(2) . 1_645 ?
Cs3 Ge1 Cs2 70.396(17) 1_545 1_645 ?
O11 Ge1 Cs4 39.54(19) . 1_545 ?
O12 Ge1 Cs4 146.1(2) . 1_545 ?
O8 Ge1 Cs4 76.18(19) . 1_545 ?
O6 Ge1 Cs4 115.88(17) . 1_545 ?
O1 Ge1 Cs4 81.7(2) . 1_545 ?
Cs3 Ge1 Cs4 139.21(4) 1_545 1_545 ?
Cs2 Ge1 Cs4 142.21(3) 1_645 1_545 ?
O11 Ge1 Cs2 101.23(19) . 1_545 ?
O12 Ge1 Cs2 138.5(2) . 1_545 ?
O8 Ge1 Cs2 36.24(18) . 1_545 ?
O6 Ge1 Cs2 68.98(17) . 1_545 ?
O1 Ge1 Cs2 111.8(2) . 1_545 ?
Cs3 Ge1 Cs2 68.729(16) 1_545 1_545 ?
Cs2 Ge1 Cs2 125.97(2) 1_645 1_545 ?
Cs4 Ge1 Cs2 70.73(4) 1_545 1_545 ?
O11 Ge1 Cs1 41.75(19) . 1_655 ?
O12 Ge1 Cs1 93.2(2) . 1_655 ?
O8 Ge1 Cs1 109.80(19) . 1_655 ?
O6 Ge1 Cs1 144.98(18) . 1_655 ?
O1 Ge1 Cs1 52.6(3) . 1_655 ?
Cs3 Ge1 Cs1 160.26(3) 1_545 1_655 ?
Cs2 Ge1 Cs1 107.69(3) 1_645 1_655 ?
Cs4 Ge1 Cs1 53.34(4) 1_545 1_655 ?
Cs2 Ge1 Cs1 122.44(3) 1_545 1_655 ?
O2 Ge2 O6 115.1(2) . 1_565 ?
O2 Ge2 O4 106.7(2) . 1_455 ?
O6 Ge2 O4 108.3(3) 1_565 1_455 ?
O2 Ge2 O3 108.6(2) . . ?
O6 Ge2 O3 108.1(2) 1_565 . ?
O4 Ge2 O3 110.0(2) 1_455 . ?
O2 Ge2 U2 34.65(16) . . ?
O6 Ge2 U2 84.98(18) 1_565 . ?
O4 Ge2 U2 135.87(17) 1_455 . ?
O3 Ge2 U2 104.85(16) . . ?
O2 Ge2 Cs4 61.19(18) . 1_545 ?
O6 Ge2 Cs4 155.86(19) 1_565 1_545 ?
O4 Ge2 Cs4 95.09(19) 1_455 1_545 ?
O3 Ge2 Cs4 56.53(17) . 1_545 ?
U2 Ge2 Cs4 82.07(5) . 1_545 ?
O2 Ge2 Cs1 55.16(16) . . ?
O6 Ge2 Cs1 124.07(18) 1_565 . ?
O4 Ge2 Cs1 51.75(18) 1_455 . ?
O3 Ge2 Cs1 127.63(17) . . ?
U2 Ge2 Cs1 85.54(3) . . ?
Cs4 Ge2 Cs1 75.16(4) 1_545 . ?
O2 Ge2 Cs4 44.67(17) . 2_676 ?
O6 Ge2 Cs4 121.43(18) 1_565 2_676 ?
O4 Ge2 Cs4 62.69(18) 1_455 2_676 ?
O3 Ge2 Cs4 129.95(17) . 2_676 ?
U2 Ge2 Cs4 74.35(5) . 2_676 ?
Cs4 Ge2 Cs4 74.26(5) 1_545 2_676 ?
Cs1 Ge2 Cs4 11.19(4) . 2_676 ?
O2 Ge2 Cs1 52.18(17) . 2_666 ?
O6 Ge2 Cs1 148.06(18) 1_565 2_666 ?
O4 Ge2 Cs1 103.57(19) 1_455 2_666 ?
O3 Ge2 Cs1 60.78(17) . 2_666 ?
U2 Ge2 Cs1 70.97(3) . 2_666 ?
Cs4 Ge2 Cs1 11.13(4) 1_545 2_666 ?
Cs1 Ge2 Cs1 75.83(5) . 2_666 ?
Cs4 Ge2 Cs1 72.73(4) 2_676 2_666 ?
O2 Ge2 Cs2 108.94(16) . 1_655 ?
O6 Ge2 Cs2 54.78(18) 1_565 1_655 ?
O4 Ge2 Cs2 144.37(18) 1_455 1_655 ?
O3 Ge2 Cs2 58.48(16) . 1_655 ?
U2 Ge2 Cs2 77.814(15) . 1_655 ?
Cs4 Ge2 Cs2 102.37(3) 1_545 1_655 ?
Cs1 Ge2 Cs2 163.35(3) . 1_655 ?
Cs4 Ge2 Cs2 152.16(5) 2_676 1_655 ?
Cs1 Ge2 Cs2 98.57(3) 2_666 1_655 ?
O2 Ge2 Cs2 101.15(17) . . ?
O6 Ge2 Cs2 69.87(18) 1_565 . ?
O4 Ge2 Cs2 46.23(17) 1_455 . ?
O3 Ge2 Cs2 147.15(17) . . ?
U2 Ge2 Cs2 107.530(17) . . ?
Cs4 Ge2 Cs2 133.65(3) 1_545 . ?
Cs1 Ge2 Cs2 61.08(3) . . ?
Cs4 Ge2 Cs2 65.73(3) 2_676 . ?
Cs1 Ge2 Cs2 136.71(3) 2_666 . ?
Cs2 Ge2 Cs2 123.94(2) 1_655 . ?
O2 Ge2 Cs3 150.97(17) . . ?
O6 Ge2 Cs3 37.12(18) 1_565 . ?
O4 Ge2 Cs3 82.96(19) 1_455 . ?
O3 Ge2 Cs3 92.80(17) . . ?
U2 Ge2 Cs3 121.869(19) . . ?
Cs4 Ge2 Cs3 146.74(5) 1_545 . ?
Cs1 Ge2 Cs3 125.20(4) . . ?
Cs4 Ge2 Cs3 131.11(4) 2_676 . ?
Cs1 Ge2 Cs3 153.53(3) 2_666 . ?
Cs2 Ge2 Cs3 65.455(15) 1_655 . ?
Cs2 Ge2 Cs3 65.382(15) . . ?
O7 Ge3 O3 114.1(3) . . ?
O7 Ge3 O8 124.1(3) . . ?
O3 Ge3 O8 111.3(2) . . ?
O7 Ge3 O13 102.5(3) . . ?
O3 Ge3 O13 102.9(3) . . ?
O8 Ge3 O13 97.3(3) . . ?
O7 Ge3 O1 84.6(3) . . ?
O3 Ge3 O1 80.6(3) . . ?
O8 Ge3 O1 72.4(3) . . ?
O13 Ge3 O1 169.7(3) . . ?
O7 Ge3 Cs2 53.1(2) . 1_655 ?
O3 Ge3 Cs2 65.79(16) . 1_655 ?
O8 Ge3 Cs2 128.61(16) . 1_655 ?
O13 Ge3 Cs2 134.0(2) . 1_655 ?
O1 Ge3 Cs2 56.2(2) . 1_655 ?
O7 Ge3 Cs2 138.1(2) . 1_545 ?
O3 Ge3 Cs2 105.79(16) . 1_545 ?
O8 Ge3 Cs2 44.05(16) . 1_545 ?
O13 Ge3 Cs2 55.1(2) . 1_545 ?
O1 Ge3 Cs2 114.7(2) . 1_545 ?
Cs2 Ge3 Cs2 167.57(3) 1_655 1_545 ?
O7 Ge3 Cs3 70.0(2) . 2_665 ?
O3 Ge3 Cs3 143.06(15) . 2_665 ?
O8 Ge3 Cs3 91.78(18) . 2_665 ?
O13 Ge3 Cs3 43.7(2) . 2_665 ?
O1 Ge3 Cs3 135.3(2) . 2_665 ?
Cs2 Ge3 Cs3 121.62(2) 1_655 2_665 ?
Cs2 Ge3 Cs3 70.703(19) 1_545 2_665 ?
O7 Ge3 Cs3 44.7(2) . . ?
O3 Ge3 Cs3 93.54(16) . . ?
O8 Ge3 Cs3 154.05(19) . . ?
O13 Ge3 Cs3 68.8(2) . . ?
O1 Ge3 Cs3 121.0(2) . . ?
Cs2 Ge3 Cs3 67.800(17) 1_655 . ?
Cs2 Ge3 Cs3 123.24(3) 1_545 . ?
Cs3 Ge3 Cs3 62.86(2) 2_665 . ?
O7 Ge3 Cs4 149.3(2) . 1_545 ?
O3 Ge3 Cs4 37.57(16) . 1_545 ?
O8 Ge3 Cs4 75.31(19) . 1_545 ?
O13 Ge3 Cs4 97.5(2) . 1_545 ?
O1 Ge3 Cs4 79.3(2) . 1_545 ?
Cs2 Ge3 Cs4 96.39(4) 1_655 1_545 ?
Cs2 Ge3 Cs4 72.57(4) 1_545 1_545 ?
Cs3 Ge3 Cs4 137.94(4) 2_665 1_545 ?
Cs3 Ge3 Cs4 126.77(4) . 1_545 ?
O12 Ge4 O9 121.2(3) . . ?
O12 Ge4 O4 117.0(3) . . ?
O9 Ge4 O4 111.6(3) . . ?
O12 Ge4 O13 95.8(3) . 1_655 ?
O9 Ge4 O13 102.8(3) . 1_655 ?
O4 Ge4 O13 104.0(3) . 1_655 ?
O12 Ge4 O1 67.6(3) . . ?
O9 Ge4 O1 92.0(3) . . ?
O4 Ge4 O1 79.4(3) . . ?
O13 Ge4 O1 162.1(3) 1_655 . ?
O12 Ge4 Cs2 124.3(3) . 1_655 ?
O9 Ge4 Cs2 59.8(2) . 1_655 ?
O4 Ge4 Cs2 59.36(17) . 1_655 ?
O13 Ge4 Cs2 139.9(2) 1_655 1_655 ?
O1 Ge4 Cs2 56.9(2) . 1_655 ?
O12 Ge4 Cs3 89.7(2) . 2_765 ?
O9 Ge4 Cs3 64.2(2) . 2_765 ?
O4 Ge4 Cs3 146.21(16) . 2_765 ?
O13 Ge4 Cs3 49.9(2) 1_655 2_765 ?
O1 Ge4 Cs3 132.6(2) . 2_765 ?
Cs2 Ge4 Cs3 123.56(3) 1_655 2_765 ?
O12 Ge4 Cs2 42.4(3) . 1_645 ?
O9 Ge4 Cs2 134.3(2) . 1_645 ?
O4 Ge4 Cs2 112.39(18) . 1_645 ?
O13 Ge4 Cs2 54.9(2) 1_655 1_645 ?
O1 Ge4 Cs2 107.4(2) . 1_645 ?
Cs2 Ge4 Cs2 162.17(3) 1_655 1_645 ?
Cs3 Ge4 Cs2 72.64(2) 2_765 1_645 ?
O12 Ge4 Cs3 155.0(2) . 1_655 ?
O9 Ge4 Cs3 44.78(19) . 1_655 ?
O4 Ge4 Cs3 87.69(17) . 1_655 ?
O13 Ge4 Cs3 72.6(2) 1_655 1_655 ?
O1 Ge4 Cs3 125.3(2) . 1_655 ?
Cs2 Ge4 Cs3 70.729(18) 1_655 1_655 ?
Cs3 Ge4 Cs3 65.70(2) 2_765 1_655 ?
Cs2 Ge4 Cs3 126.47(3) 1_645 1_655 ?
Ge1 O1 Ge4 93.8(3) . . ?
Ge1 O1 Ge3 91.3(3) . . ?
Ge4 O1 Ge3 138.9(5) . . ?
Ge1 O1 Cs2 175.8(4) . 1_655 ?
Ge4 O1 Cs2 88.5(3) . 1_655 ?
Ge3 O1 Cs2 89.3(3) . 1_655 ?
Ge1 O1 Cs1 100.2(3) . 1_655 ?
Ge4 O1 Cs1 99.8(3) . 1_655 ?
Ge3 O1 Cs1 119.3(3) . 1_655 ?
Cs2 O1 Cs1 75.92(18) 1_655 1_655 ?
Ge2 O2 U2 119.8(2) . . ?
Ge2 O2 Cs4 110.9(2) . 2_676 ?
U2 O2 Cs4 117.5(2) . 2_676 ?
Ge2 O2 Cs1 102.2(2) . 2_666 ?
U2 O2 Cs1 103.42(18) . 2_666 ?
Cs4 O2 Cs1 98.81(15) 2_676 2_666 ?
Ge2 O2 Cs1 98.4(2) . . ?
U2 O2 Cs1 130.5(2) . . ?
Cs4 O2 Cs1 13.47(6) 2_676 . ?
Cs1 O2 Cs1 97.27(14) 2_666 . ?
Ge2 O2 Cs4 91.4(2) . 1_545 ?
U2 O2 Cs4 116.0(2) . 1_545 ?
Cs4 O2 Cs4 95.71(14) 2_676 1_545 ?
Cs1 O2 Cs4 13.28(5) 2_666 1_545 ?
Cs1 O2 Cs4 91.30(13) . 1_545 ?
Ge2 O3 Ge3 122.2(3) . . ?
Ge2 O3 Cs4 95.5(2) . 1_545 ?
Ge3 O3 Cs4 122.3(2) . 1_545 ?
Ge2 O3 Cs1 92.3(2) . 2_666 ?
Ge3 O3 Cs1 132.9(2) . 2_666 ?
Cs4 O3 Cs1 12.45(6) 1_545 2_666 ?
Ge2 O3 Cs2 96.59(18) . 1_655 ?
Ge3 O3 Cs2 87.29(18) . 1_655 ?
Cs4 O3 Cs2 133.44(16) 1_545 1_655 ?
Cs1 O3 Cs2 122.31(14) 2_666 1_655 ?
Ge2 O4 Ge4 125.3(3) 1_655 . ?
Ge2 O4 Cs1 101.5(2) 1_655 1_655 ?
Ge4 O4 Cs1 131.0(2) . 1_655 ?
Ge2 O4 Cs2 111.4(2) 1_655 1_655 ?
Ge4 O4 Cs2 93.5(2) . 1_655 ?
Cs1 O4 Cs2 80.67(11) 1_655 1_655 ?
Ge2 O4 Cs4 90.5(2) 1_655 2_776 ?
Ge4 O4 Cs4 142.4(2) . 2_776 ?
Cs1 O4 Cs4 11.37(5) 1_655 2_776 ?
Cs2 O4 Cs4 82.00(11) 1_655 2_776 ?
U1 O5 Cs3 161.6(3) . 2_775 ?
U1 O5 Cs2 101.5(2) . 1_655 ?
Cs3 O5 Cs2 96.89(15) 2_775 1_655 ?
U1 O5 Cs3 95.4(2) . . ?
Cs3 O5 Cs3 87.68(14) 2_775 . ?
Cs2 O5 Cs3 82.63(13) 1_655 . ?
Ge2 O6 Ge1 132.9(3) 1_545 . ?
Ge2 O6 Cs3 123.1(2) 1_545 1_545 ?
Ge1 O6 Cs3 101.1(2) . 1_545 ?
Ge2 O6 Cs2 100.9(2) 1_545 1_645 ?
Ge1 O6 Cs2 95.3(2) . 1_645 ?
Cs3 O6 Cs2 88.32(13) 1_545 1_645 ?
Ge3 O7 U1 142.8(3) . . ?
Ge3 O7 Cs2 101.8(3) . 1_655 ?
U1 O7 Cs2 94.41(19) . 1_655 ?
Ge3 O7 Cs3 114.2(2) . . ?
U1 O7 Cs3 99.0(2) . . ?
Cs2 O7 Cs3 89.72(14) 1_655 . ?
Ge1 O8 Ge3 117.5(3) . . ?
Ge1 O8 Cs2 124.0(3) . 1_545 ?
Ge3 O8 Cs2 112.4(2) . 1_545 ?
Ge1 O8 Cs3 84.51(19) . 1_545 ?
Ge3 O8 Cs3 124.9(2) . 1_545 ?
Cs2 O8 Cs3 87.13(13) 1_545 1_545 ?
Ge4 O9 U1 138.9(3) . . ?
Ge4 O9 Cs3 112.8(3) . 1_655 ?
U1 O9 Cs3 108.1(2) . 1_655 ?
Ge4 O9 Cs2 93.9(2) . 1_655 ?
U1 O9 Cs2 89.84(18) . 1_655 ?
Cs3 O9 Cs2 90.84(14) 1_655 1_655 ?
Ge4 O9 Cs3 90.1(2) . 2_765 ?
U1 O9 Cs3 91.49(19) . 2_765 ?
Cs3 O9 Cs3 81.40(13) 1_655 2_765 ?
Cs2 O9 Cs3 172.16(18) 1_655 2_765 ?
U2 O10 Cs2 150.8(3) . 1_655 ?
U2 O10 Cs1 119.6(3) . 1_655 ?
Cs2 O10 Cs1 82.84(13) 1_655 1_655 ?
U2 O10 Cs4 115.5(2) . 2_776 ?
Cs2 O10 Cs4 90.56(13) 1_655 2_776 ?
Cs1 O10 Cs4 13.82(6) 1_655 2_776 ?
U2 O10 Cs4 102.2(2) . 1_655 ?
Cs2 O10 Cs4 93.83(14) 1_655 1_655 ?
Cs1 O10 Cs4 94.06(14) 1_655 1_655 ?
Cs4 O10 Cs4 82.11(13) 2_776 1_655 ?
Ge1 O11 U2 128.0(3) . 1_545 ?
Ge1 O11 Cs4 120.1(3) . 1_545 ?
U2 O11 Cs4 102.4(2) 1_545 1_545 ?
Ge1 O11 Cs1 117.4(3) . 1_655 ?
U2 O11 Cs1 101.20(19) 1_545 1_655 ?
Cs4 O11 Cs1 74.36(13) 1_545 1_655 ?
Ge1 O11 Cs1 129.3(3) . 2_666 ?
U2 O11 Cs1 98.11(19) 1_545 2_666 ?
Cs4 O11 Cs1 12.48(5) 1_545 2_666 ?
Cs1 O11 Cs1 63.36(11) 1_655 2_666 ?
Ge4 O12 Ge1 125.2(5) . . ?
Ge4 O12 Cs2 115.5(3) . 1_645 ?
Ge1 O12 Cs2 111.4(3) . 1_645 ?
Ge4 O12 Cs3 128.5(3) . 1_545 ?
Ge1 O12 Cs3 82.1(2) . 1_545 ?
Cs2 O12 Cs3 84.23(16) 1_645 1_545 ?
Ge4 O13 Ge3 137.0(4) 1_455 . ?
Ge4 O13 Cs3 104.0(3) 1_455 2_665 ?
Ge3 O13 Cs3 112.8(3) . 2_665 ?
Ge4 O13 Cs2 99.5(3) 1_455 1_545 ?
Ge3 O13 Cs2 99.3(3) . 1_545 ?
Cs3 O13 Cs2 94.04(18) 2_665 1_545 ?

_refine_diff_density_max         2.826
_refine_diff_density_min         -3.484
_refine_diff_density_rms         0.302

####################################################################### 
# 
# 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_K8BrF(UO2)3(Ge2O7)2
_database_code_depnum_ccdc_archive 'CCDC 1970245'
loop_
_audit_author_name
_audit_author_address
'Haijian Li'
;Forschungszentrum Juelich
Germany
;
_audit_update_record             
;
2019-12-05 deposited with the CCDC.	2020-01-24 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_DIFMN02_K8BrF(UO2)3(Ge2O7)2 
;
PROBLEM: The minimum difference density is < -0.1*ZMAX*2.00
RESPONSE: This is due to the disordered Br- and F- ions in the salt-inclusion units.
;
_vrf_PLAT097_K8BrF(UO2)3(Ge2O7)2 
;
PROBLEM: Large Reported Max.  (Positive) Residual Density     182.15 eA-3
RESPONSE: This is due to the disordered Br- and F- ions in the salt-inclusion units.
;
_vrf_PLAT098_K8BrF(UO2)3(Ge2O7)2 
;
PROBLEM: Large Reported Min.  (Negative) Residual Density    -173.94 eA-3
RESPONSE: This is due to the disordered Br- and F- ions in the salt-inclusion units.
;
# Added during the CSD deposition process: Thursday 05 December 2019 10:33 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Br F Ge4 K8 O20 U3'
_chemical_formula_weight         1736.16

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   7.3647(3)
_cell_length_b                   9.7768(6)
_cell_length_c                   9.9186(5)
_cell_angle_alpha                70.779(5)
_cell_angle_beta                 89.613(4)
_cell_angle_gamma                87.291(4)
_cell_volume                     673.58(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4080
_cell_measurement_theta_min      3.4790
_cell_measurement_theta_max      32.4150

_exptl_crystal_description       Column
_exptl_crystal_colour            Green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.280
_exptl_crystal_F_000             760
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    25.167
_shelx_estimated_absorpt_T_min   0.035
_shelx_estimated_absorpt_T_max   0.081
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.003
_exptl_absorpt_correction_T_max  0.007
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  graphite
_diffrn_measurement_method       'SuperNova, Dual, Cu at zero, Eos'
_diffrn_detector_area_resol_mean '\w scans'
_diffrn_reflns_number            8386
_diffrn_reflns_av_unetI/netI     0.0600
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.539
_diffrn_reflns_theta_max         33.077
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.898
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.898
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.898
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8386
_reflns_number_gt                3952
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0909P)²+18.4484P] 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_number_reflns         8386
_refine_ls_number_parameters     182
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.1251
_refine_ls_R_factor_gt           0.0757
_refine_ls_wR_factor_ref         0.2193
_refine_ls_wR_factor_gt          0.2056
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.073
_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
U1 U 0.500000 0.500000 0.000000 0.01414(19) Uani 1 2 d S . P . .
U2 U 0.500000 0.000000 0.500000 0.0174(2) Uani 1 2 d S . P . .
U3 U 0.000000 0.000000 0.000000 0.0404(4) Uani 1 2 d S . P . .
Ge1 Ge 0.2231(2) 0.19266(18) 0.18963(16) 0.0160(3) Uani 1 1 d . . . . .
Ge2 Ge 0.2027(2) 0.8022(2) -0.2099(2) 0.0274(4) Uani 1 1 d . . . . .
K1 K 0.5040(7) -0.4005(5) 0.6123(5) 0.0331(9) Uani 1 1 d . . . . .
K2 K 0.0286(8) -0.1667(7) 0.4306(5) 0.0480(14) Uani 1 1 d . . . . .
K3 K 0.0285(9) 0.5704(6) 0.1639(7) 0.0548(16) Uani 1 1 d . . . . .
K4 K 0.5048(10) 0.8486(9) 0.1715(10) 0.074(2) Uani 1 1 d . . . . .
Br1 Br 0.1351(6) -0.4898(5) 0.4940(5) 0.0370(9) Uani 0.5 1 d . . P . .
F1 F 0.317(4) -0.367(3) 0.386(3) 0.048(7) Uani 0.5 1 d . . P . .
O1 O 0.3231(19) 0.3562(15) 0.1645(13) 0.027(3) Uani 1 1 d . . . . .
O2 O 0.3164(19) 0.8347(14) -0.3707(16) 0.030(3) Uani 1 1 d . . . . .
O3 O 0.376(3) 0.1415(18) 0.547(2) 0.056(5) Uani 1 1 d . . . . .
O4 O 0.024(3) 0.191(2) 0.282(2) 0.057(5) Uani 1 1 d . U . . .
O5 O 0.188(3) 0.158(2) 0.0345(17) 0.061(6) Uani 1 1 d . . . . .
O6 O 0.244(3) 0.625(2) -0.107(2) 0.063(5) Uani 1 1 d . . . . .
O7 O 0.512(3) 0.606(2) 0.122(2) 0.059(5) Uani 1 1 d . U . . .
O8 O 0.095(3) -0.145(2) 0.1524(18) 0.062(6) Uani 1 1 d . . . . .
O9 O 0.203(3) 0.938(3) -0.145(2) 0.062(5) Uani 1 1 d . U . . .
O10 O 0.346(3) 0.042(3) 0.299(2) 0.065(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
U1 O7 1.84(2) 2_665 ?
U1 O7 1.84(2) . ?
U1 O1 2.229(12) 2_665 ?
U1 O1 2.229(12) . ?
U1 O6 2.27(2) 2_665 ?
U1 O6 2.27(2) . ?
U1 K1 3.643(4) 1_564 ?
U1 K1 3.643(4) 2_656 ?
U1 K3 3.951(6) . ?
U1 K3 3.951(6) 2_665 ?
U1 K4 4.282(7) 2_665 ?
U1 K4 4.282(7) . ?
U2 O3 1.807(17) 2_656 ?
U2 O3 1.807(17) . ?
U2 O10 2.21(2) . ?
U2 O10 2.21(2) 2_656 ?
U2 O2 2.214(12) 2_665 ?
U2 O2 2.214(12) 1_546 ?
U2 K1 3.700(4) 2_656 ?
U2 K1 3.700(4) . ?
U2 K4 3.997(7) 2_666 ?
U2 K4 3.997(7) 1_545 ?
U2 K2 4.060(5) 2_656 ?
U2 K2 4.060(5) . ?
U3 O8 1.82(2) 2 ?
U3 O8 1.82(2) . ?
U3 O5 2.230(14) . ?
U3 O5 2.230(14) 2 ?
U3 O9 2.26(2) 2_565 ?
U3 O9 2.26(2) 1_545 ?
U3 K3 3.969(5) 1_545 ?
U3 K3 3.969(5) 2_565 ?
U3 K2 4.042(5) 2 ?
U3 K2 4.042(5) . ?
U3 K4 4.101(7) 1_545 ?
U3 K4 4.101(7) 2_565 ?
Ge1 O5 1.705(14) . ?
Ge1 O4 1.72(2) . ?
Ge1 O10 1.73(2) . ?
Ge1 O1 1.734(12) . ?
Ge1 K3 3.826(6) . ?
Ge1 K2 3.874(6) . ?
Ge1 K1 3.885(5) 2_656 ?
Ge1 K4 3.923(7) 1_545 ?
Ge1 K3 3.928(7) 2_565 ?
Ge2 O9 1.66(2) . ?
Ge2 O6 1.711(19) . ?
Ge2 O2 1.738(14) . ?
Ge2 O4 1.81(2) 2_565 ?
Ge2 K2 3.709(5) 1_564 ?
Ge2 K1 3.714(5) 1_564 ?
Ge2 K2 3.838(7) 2_565 ?
Ge2 K3 3.900(6) . ?
Ge2 K3 3.983(6) 2_565 ?
K1 F1 2.56(3) . ?
K1 F1 2.57(3) 2_646 ?
K1 O2 2.679(14) 1_546 ?
K1 O3 2.693(17) 2_656 ?
K1 O1 2.726(13) 2_656 ?
K1 O7 2.74(2) 2_656 ?
K1 Br1 3.125(7) 2_646 ?
K1 Br1 3.235(6) . ?
K1 K1 3.409(9) 2_646 ?
K2 O8 2.740(17) . ?
K2 O4 2.81(2) 2_556 ?
K2 O2 2.907(16) 1_546 ?
K2 F1 2.95(3) . ?
K2 O3 2.99(2) 2_556 ?
K2 Br1 3.075(8) . ?
K2 O10 3.16(2) . ?
K2 O4 3.31(2) . ?
K2 O9 3.39(2) 2_565 ?
K2 Br1 3.465(7) 2_546 ?
K3 O8 2.81(2) 1_565 ?
K3 O1 2.942(16) . ?
K3 O6 3.01(2) 2_565 ?
K3 O6 3.01(2) . ?
K3 O5 3.11(3) 2_565 ?
K3 Br1 3.226(8) 1_565 ?
K3 F1 3.29(3) 1_565 ?
K3 Br1 3.443(7) 2_556 ?
K4 O7 2.58(2) . ?
K4 O10 2.80(2) 1_565 ?
K4 F1 2.86(3) 1_565 ?
K4 O3 2.96(2) 2_666 ?
K4 O9 3.02(2) 2_675 ?
K4 O8 3.02(2) 1_565 ?
K4 O5 3.051(19) 2_665 ?
K4 K4 3.701(19) 2_675 ?
Br1 F1 1.92(3) . ?
Br1 Br1 2.007(9) 2_546 ?

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
O7 U1 O7 180.0 2_665 . ?
O7 U1 O1 85.4(8) 2_665 2_665 ?
O7 U1 O1 94.6(8) . 2_665 ?
O7 U1 O1 94.6(8) 2_665 . ?
O7 U1 O1 85.4(8) . . ?
O1 U1 O1 180.0 2_665 . ?
O7 U1 O6 92.2(9) 2_665 2_665 ?
O7 U1 O6 87.8(9) . 2_665 ?
O1 U1 O6 87.7(6) 2_665 2_665 ?
O1 U1 O6 92.3(6) . 2_665 ?
O7 U1 O6 87.8(9) 2_665 . ?
O7 U1 O6 92.2(9) . . ?
O1 U1 O6 92.3(6) 2_665 . ?
O1 U1 O6 87.7(6) . . ?
O6 U1 O6 180.0 2_665 . ?
O7 U1 K1 47.0(7) 2_665 1_564 ?
O7 U1 K1 133.0(7) . 1_564 ?
O1 U1 K1 48.3(3) 2_665 1_564 ?
O1 U1 K1 131.7(3) . 1_564 ?
O6 U1 K1 113.4(5) 2_665 1_564 ?
O6 U1 K1 66.6(5) . 1_564 ?
O7 U1 K1 133.0(7) 2_665 2_656 ?
O7 U1 K1 47.0(7) . 2_656 ?
O1 U1 K1 131.7(3) 2_665 2_656 ?
O1 U1 K1 48.3(3) . 2_656 ?
O6 U1 K1 66.6(5) 2_665 2_656 ?
O6 U1 K1 113.4(5) . 2_656 ?
K1 U1 K1 180.00(14) 1_564 2_656 ?
O7 U1 K3 114.5(7) 2_665 . ?
O7 U1 K3 65.5(7) . . ?
O1 U1 K3 132.6(4) 2_665 . ?
O1 U1 K3 47.4(4) . . ?
O6 U1 K3 130.6(5) 2_665 . ?
O6 U1 K3 49.4(5) . . ?
K1 U1 K3 115.09(13) 1_564 . ?
K1 U1 K3 64.91(13) 2_656 . ?
O7 U1 K3 65.5(7) 2_665 2_665 ?
O7 U1 K3 114.5(7) . 2_665 ?
O1 U1 K3 47.4(4) 2_665 2_665 ?
O1 U1 K3 132.6(4) . 2_665 ?
O6 U1 K3 49.4(5) 2_665 2_665 ?
O6 U1 K3 130.6(5) . 2_665 ?
K1 U1 K3 64.91(13) 1_564 2_665 ?
K1 U1 K3 115.09(13) 2_656 2_665 ?
K3 U1 K3 180.0 . 2_665 ?
O7 U1 K4 16.7(7) 2_665 2_665 ?
O7 U1 K4 163.3(7) . 2_665 ?
O1 U1 K4 97.5(4) 2_665 2_665 ?
O1 U1 K4 82.5(4) . 2_665 ?
O6 U1 K4 81.3(6) 2_665 2_665 ?
O6 U1 K4 98.7(6) . 2_665 ?
K1 U1 K4 63.39(15) 1_564 2_665 ?
K1 U1 K4 116.61(15) 2_656 2_665 ?
K3 U1 K4 112.96(15) . 2_665 ?
K3 U1 K4 67.04(15) 2_665 2_665 ?
O7 U1 K4 163.3(7) 2_665 . ?
O7 U1 K4 16.7(7) . . ?
O1 U1 K4 82.5(4) 2_665 . ?
O1 U1 K4 97.5(4) . . ?
O6 U1 K4 98.7(6) 2_665 . ?
O6 U1 K4 81.3(6) . . ?
K1 U1 K4 116.61(15) 1_564 . ?
K1 U1 K4 63.39(15) 2_656 . ?
K3 U1 K4 67.04(15) . . ?
K3 U1 K4 112.96(15) 2_665 . ?
K4 U1 K4 180.0 2_665 . ?
O3 U2 O3 180.0 2_656 . ?
O3 U2 O10 86.2(10) 2_656 . ?
O3 U2 O10 93.8(10) . . ?
O3 U2 O10 93.8(10) 2_656 2_656 ?
O3 U2 O10 86.2(10) . 2_656 ?
O10 U2 O10 180.0 . 2_656 ?
O3 U2 O2 91.4(6) 2_656 2_665 ?
O3 U2 O2 88.6(6) . 2_665 ?
O10 U2 O2 85.5(7) . 2_665 ?
O10 U2 O2 94.5(7) 2_656 2_665 ?
O3 U2 O2 88.6(6) 2_656 1_546 ?
O3 U2 O2 91.4(6) . 1_546 ?
O10 U2 O2 94.5(7) . 1_546 ?
O10 U2 O2 85.5(7) 2_656 1_546 ?
O2 U2 O2 180.0(6) 2_665 1_546 ?
O3 U2 K1 136.5(5) 2_656 2_656 ?
O3 U2 K1 43.5(5) . 2_656 ?
O10 U2 K1 83.4(6) . 2_656 ?
O10 U2 K1 96.6(6) 2_656 2_656 ?
O2 U2 K1 45.8(4) 2_665 2_656 ?
O2 U2 K1 134.2(4) 1_546 2_656 ?
O3 U2 K1 43.5(5) 2_656 . ?
O3 U2 K1 136.5(5) . . ?
O10 U2 K1 96.6(6) . . ?
O10 U2 K1 83.4(6) 2_656 . ?
O2 U2 K1 134.2(4) 2_665 . ?
O2 U2 K1 45.8(4) 1_546 . ?
K1 U2 K1 180.0 2_656 . ?
O3 U2 K4 136.4(8) 2_656 2_666 ?
O3 U2 K4 43.6(8) . 2_666 ?
O10 U2 K4 137.4(6) . 2_666 ?
O10 U2 K4 42.6(6) 2_656 2_666 ?
O2 U2 K4 93.9(4) 2_665 2_666 ?
O2 U2 K4 86.1(4) 1_546 2_666 ?
K1 U2 K4 66.85(15) 2_656 2_666 ?
K1 U2 K4 113.15(15) . 2_666 ?
O3 U2 K4 43.6(8) 2_656 1_545 ?
O3 U2 K4 136.4(8) . 1_545 ?
O10 U2 K4 42.6(6) . 1_545 ?
O10 U2 K4 137.4(6) 2_656 1_545 ?
O2 U2 K4 86.1(4) 2_665 1_545 ?
O2 U2 K4 93.9(4) 1_546 1_545 ?
K1 U2 K4 113.15(15) 2_656 1_545 ?
K1 U2 K4 66.85(15) . 1_545 ?
K4 U2 K4 180.0 2_666 1_545 ?
O3 U2 K2 91.0(7) 2_656 2_656 ?
O3 U2 K2 89.0(7) . 2_656 ?
O10 U2 K2 129.3(6) . 2_656 ?
O10 U2 K2 50.7(6) 2_656 2_656 ?
O2 U2 K2 44.0(4) 2_665 2_656 ?
O2 U2 K2 136.0(4) 1_546 2_656 ?
K1 U2 K2 64.72(12) 2_656 2_656 ?
K1 U2 K2 115.28(12) . 2_656 ?
K4 U2 K2 64.72(14) 2_666 2_656 ?
K4 U2 K2 115.28(14) 1_545 2_656 ?
O3 U2 K2 89.0(7) 2_656 . ?
O3 U2 K2 91.0(7) . . ?
O10 U2 K2 50.7(6) . . ?
O10 U2 K2 129.3(6) 2_656 . ?
O2 U2 K2 136.0(4) 2_665 . ?
O2 U2 K2 44.0(4) 1_546 . ?
K1 U2 K2 115.28(12) 2_656 . ?
K1 U2 K2 64.72(12) . . ?
K4 U2 K2 115.28(14) 2_666 . ?
K4 U2 K2 64.72(14) 1_545 . ?
K2 U2 K2 180.0 2_656 . ?
O8 U3 O8 180.0 2 . ?
O8 U3 O5 88.3(8) 2 . ?
O8 U3 O5 91.7(8) . . ?
O8 U3 O5 91.7(8) 2 2 ?
O8 U3 O5 88.3(8) . 2 ?
O5 U3 O5 180.0(7) . 2 ?
O8 U3 O9 90.1(9) 2 2_565 ?
O8 U3 O9 89.9(9) . 2_565 ?
O5 U3 O9 88.9(7) . 2_565 ?
O5 U3 O9 91.1(7) 2 2_565 ?
O8 U3 O9 89.9(9) 2 1_545 ?
O8 U3 O9 90.1(9) . 1_545 ?
O5 U3 O9 91.1(7) . 1_545 ?
O5 U3 O9 88.9(7) 2 1_545 ?
O9 U3 O9 180.0(12) 2_565 1_545 ?
O8 U3 K3 140.7(5) 2 1_545 ?
O8 U3 K3 39.3(5) . 1_545 ?
O5 U3 K3 128.6(6) . 1_545 ?
O5 U3 K3 51.4(6) 2 1_545 ?
O9 U3 K3 102.2(6) 2_565 1_545 ?
O9 U3 K3 77.8(6) 1_545 1_545 ?
O8 U3 K3 39.3(5) 2 2_565 ?
O8 U3 K3 140.7(5) . 2_565 ?
O5 U3 K3 51.4(6) . 2_565 ?
O5 U3 K3 128.6(6) 2 2_565 ?
O9 U3 K3 77.8(6) 2_565 2_565 ?
O9 U3 K3 102.2(6) 1_545 2_565 ?
K3 U3 K3 180.0(2) 1_545 2_565 ?
O8 U3 K2 34.3(7) 2 2 ?
O8 U3 K2 145.7(7) . 2 ?
O5 U3 K2 97.5(4) . 2 ?
O5 U3 K2 82.5(4) 2 2 ?
O9 U3 K2 123.1(6) 2_565 2 ?
O9 U3 K2 56.9(6) 1_545 2 ?
K3 U3 K2 115.90(13) 1_545 2 ?
K3 U3 K2 64.10(13) 2_565 2 ?
O8 U3 K2 145.7(7) 2 . ?
O8 U3 K2 34.3(7) . . ?
O5 U3 K2 82.5(4) . . ?
O5 U3 K2 97.5(4) 2 . ?
O9 U3 K2 56.9(6) 2_565 . ?
O9 U3 K2 123.1(6) 1_545 . ?
K3 U3 K2 64.10(13) 1_545 . ?
K3 U3 K2 115.90(13) 2_565 . ?
K2 U3 K2 180.0 2 . ?
O8 U3 K4 137.5(7) 2 1_545 ?
O8 U3 K4 42.5(7) . 1_545 ?
O5 U3 K4 61.7(7) . 1_545 ?
O5 U3 K4 118.3(7) 2 1_545 ?
O9 U3 K4 116.5(5) 2_565 1_545 ?
O9 U3 K4 63.5(5) 1_545 1_545 ?
K3 U3 K4 68.70(17) 1_545 1_545 ?
K3 U3 K4 111.30(17) 2_565 1_545 ?
K2 U3 K4 116.04(16) 2 1_545 ?
K2 U3 K4 63.96(16) . 1_545 ?
O8 U3 K4 42.5(7) 2 2_565 ?
O8 U3 K4 137.5(7) . 2_565 ?
O5 U3 K4 118.3(7) . 2_565 ?
O5 U3 K4 61.7(7) 2 2_565 ?
O9 U3 K4 63.5(5) 2_565 2_565 ?
O9 U3 K4 116.5(5) 1_545 2_565 ?
K3 U3 K4 111.30(17) 1_545 2_565 ?
K3 U3 K4 68.70(17) 2_565 2_565 ?
K2 U3 K4 63.96(16) 2 2_565 ?
K2 U3 K4 116.04(16) . 2_565 ?
K4 U3 K4 180.0 1_545 2_565 ?
O5 Ge1 O4 111.5(9) . . ?
O5 Ge1 O10 105.3(11) . . ?
O4 Ge1 O10 103.0(11) . . ?
O5 Ge1 O1 113.3(7) . . ?
O4 Ge1 O1 108.8(9) . . ?
O10 Ge1 O1 114.5(9) . . ?
O5 Ge1 K3 111.0(8) . . ?
O4 Ge1 K3 66.3(8) . . ?
O10 Ge1 K3 143.6(7) . . ?
O1 Ge1 K3 47.3(5) . . ?
O5 Ge1 K2 94.5(5) . . ?
O4 Ge1 K2 58.4(8) . . ?
O10 Ge1 K2 53.3(8) . . ?
O1 Ge1 K2 152.1(4) . . ?
K3 Ge1 K2 124.36(13) . . ?
O5 Ge1 K1 147.1(5) . 2_656 ?
O4 Ge1 K1 96.4(7) . 2_656 ?
O10 Ge1 K1 84.1(7) . 2_656 ?
O1 Ge1 K1 37.6(4) . 2_656 ?
K3 Ge1 K1 63.94(14) . 2_656 ?
K2 Ge1 K1 115.39(10) . 2_656 ?
O5 Ge1 K4 67.2(9) . 1_545 ?
O4 Ge1 K4 125.4(8) . 1_545 ?
O10 Ge1 K4 39.3(7) . 1_545 ?
O1 Ge1 K4 121.8(5) . 1_545 ?
K3 Ge1 K4 168.31(17) . 1_545 ?
K2 Ge1 K4 67.17(18) . 1_545 ?
K1 Ge1 K4 110.78(13) 2_656 1_545 ?
O5 Ge1 K3 49.7(8) . 2_565 ?
O4 Ge1 K3 89.5(7) . 2_565 ?
O10 Ge1 K3 155.0(7) . 2_565 ?
O1 Ge1 K3 80.7(4) . 2_565 ?
K3 Ge1 K3 61.37(17) . 2_565 ?
K2 Ge1 K3 120.98(12) . 2_565 ?
K1 Ge1 K3 116.39(12) 2_656 2_565 ?
K4 Ge1 K3 116.13(15) 1_545 2_565 ?
O9 Ge2 O6 122.9(11) . . ?
O9 Ge2 O2 114.2(9) . . ?
O6 Ge2 O2 109.1(8) . . ?
O9 Ge2 O4 105.1(10) . 2_565 ?
O6 Ge2 O4 104.9(11) . 2_565 ?
O2 Ge2 O4 96.6(8) . 2_565 ?
O9 Ge2 K2 124.5(8) . 1_564 ?
O6 Ge2 K2 111.5(8) . 1_564 ?
O2 Ge2 K2 49.8(5) . 1_564 ?
O4 Ge2 K2 47.1(6) 2_565 1_564 ?
O9 Ge2 K1 141.4(8) . 1_564 ?
O6 Ge2 K1 67.4(7) . 1_564 ?
O2 Ge2 K1 41.7(4) . 1_564 ?
O4 Ge2 K1 107.2(7) 2_565 1_564 ?
K2 Ge2 K1 68.26(13) 1_564 1_564 ?
O9 Ge2 K2 61.9(8) . 2_565 ?
O6 Ge2 K2 163.7(8) . 2_565 ?
O2 Ge2 K2 79.5(5) . 2_565 ?
O4 Ge2 K2 59.6(7) 2_565 2_565 ?
K2 Ge2 K2 62.89(16) 1_564 2_565 ?
K1 Ge2 K2 119.89(11) 1_564 2_565 ?
O9 Ge2 K3 86.1(8) . . ?
O6 Ge2 K3 47.3(7) . . ?
O2 Ge2 K3 156.3(4) . . ?
O4 Ge2 K3 89.2(7) 2_565 . ?
K2 Ge2 K3 129.07(14) 1_564 . ?
K1 Ge2 K3 114.66(11) 1_564 . ?
K2 Ge2 K3 122.68(12) 2_565 . ?
O9 Ge2 K3 142.5(8) . 2_565 ?
O6 Ge2 K3 44.6(8) . 2_565 ?
O2 Ge2 K3 102.5(4) . 2_565 ?
O4 Ge2 K3 61.7(7) 2_565 2_565 ?
K2 Ge2 K3 74.27(14) 1_564 2_565 ?
K1 Ge2 K3 73.27(11) 1_564 2_565 ?
K2 Ge2 K3 121.09(14) 2_565 2_565 ?
K3 Ge2 K3 60.28(17) . 2_565 ?
F1 K1 F1 96.6(8) . 2_646 ?
F1 K1 O2 86.3(7) . 1_546 ?
F1 K1 O2 176.3(8) 2_646 1_546 ?
F1 K1 O3 81.9(8) . 2_656 ?
F1 K1 O3 119.2(8) 2_646 2_656 ?
O2 K1 O3 63.4(5) 1_546 2_656 ?
F1 K1 O1 164.0(7) . 2_656 ?
F1 K1 O1 98.4(8) 2_646 2_656 ?
O2 K1 O1 78.9(5) 1_546 2_656 ?
O3 K1 O1 86.0(6) 2_656 2_656 ?
F1 K1 O7 130.2(8) . 2_656 ?
F1 K1 O7 70.3(8) 2_646 2_656 ?
O2 K1 O7 106.1(6) 1_546 2_656 ?
O3 K1 O7 147.0(7) 2_656 2_656 ?
O1 K1 O7 61.0(5) 2_656 2_656 ?
F1 K1 Br1 96.3(6) . 2_646 ?
F1 K1 Br1 37.8(6) 2_646 2_646 ?
O2 K1 Br1 144.3(3) 1_546 2_646 ?
O3 K1 Br1 81.7(4) 2_656 2_646 ?
O1 K1 Br1 92.2(3) 2_656 2_646 ?
O7 K1 Br1 99.2(5) 2_656 2_646 ?
F1 K1 Br1 36.3(6) . . ?
F1 K1 Br1 93.5(7) 2_646 . ?
O2 K1 Br1 87.5(3) 1_546 . ?
O3 K1 Br1 114.6(5) 2_656 . ?
O1 K1 Br1 147.0(3) 2_656 . ?
O7 K1 Br1 95.1(5) 2_656 . ?
Br1 K1 Br1 115.20(16) 2_646 . ?
F1 K1 K1 48.4(6) . 2_646 ?
F1 K1 K1 48.2(7) 2_646 2_646 ?
O2 K1 K1 134.7(4) 1_546 2_646 ?
O3 K1 K1 105.2(5) 2_656 2_646 ?
O1 K1 K1 146.2(4) 2_656 2_646 ?
O7 K1 K1 103.3(5) 2_656 2_646 ?
Br1 K1 K1 59.15(16) 2_646 2_646 ?
Br1 K1 K1 56.05(15) . 2_646 ?
F1 K1 U1 146.2(7) . 1_546 ?
F1 K1 U1 94.1(7) 2_646 1_546 ?
O2 K1 U1 82.2(3) 1_546 1_546 ?
O3 K1 U1 119.8(5) 2_656 1_546 ?
O1 K1 U1 37.6(3) 2_656 1_546 ?
O7 K1 U1 29.4(4) 2_656 1_546 ?
Br1 K1 U1 111.44(15) 2_646 1_546 ?
Br1 K1 U1 111.17(15) . 1_546 ?
K1 K1 U1 132.7(2) 2_646 1_546 ?
F1 K1 U2 86.6(6) . . ?
F1 K1 U2 145.9(7) 2_646 . ?
O2 K1 U2 36.4(3) 1_546 . ?
O3 K1 U2 27.5(4) 2_656 . ?
O1 K1 U2 77.9(3) 2_656 . ?
O7 K1 U2 131.2(5) 2_656 . ?
Br1 K1 U2 108.11(15) 2_646 . ?
Br1 K1 U2 108.04(15) . . ?
K1 K1 U2 125.37(19) 2_646 . ?
U1 K1 U2 101.92(11) 1_546 . ?
F1 K1 Ge2 100.2(6) . 1_546 ?
F1 K1 Ge2 150.9(7) 2_646 1_546 ?
O2 K1 Ge2 25.6(3) 1_546 1_546 ?
O3 K1 Ge2 86.8(4) 2_656 1_546 ?
O1 K1 Ge2 68.6(3) 2_656 1_546 ?
O7 K1 Ge2 80.7(5) 2_656 1_546 ?
Br1 K1 Ge2 158.33(17) 2_646 1_546 ?
Br1 K1 Ge2 86.28(14) . 1_546 ?
K1 K1 Ge2 142.2(2) 2_646 1_546 ?
U1 K1 Ge2 59.33(8) 1_546 1_546 ?
U2 K1 Ge2 59.33(7) . 1_546 ?
O8 K2 O4 177.6(7) . 2_556 ?
O8 K2 O2 122.5(6) . 1_546 ?
O4 K2 O2 55.1(5) 2_556 1_546 ?
O8 K2 F1 64.1(8) . . ?
O4 K2 F1 114.0(8) 2_556 . ?
O2 K2 F1 75.4(7) 1_546 . ?
O8 K2 O3 105.5(6) . 2_556 ?
O4 K2 O3 76.9(6) 2_556 2_556 ?
O2 K2 O3 131.2(5) 1_546 2_556 ?
F1 K2 O3 140.2(7) . 2_556 ?
O8 K2 Br1 84.4(5) . . ?
O4 K2 Br1 94.8(5) 2_556 . ?
O2 K2 Br1 86.7(3) 1_546 . ?
F1 K2 Br1 37.0(6) . . ?
O3 K2 Br1 107.2(4) 2_556 . ?
O8 K2 O10 67.9(6) . . ?
O4 K2 O10 110.5(6) 2_556 . ?
O2 K2 O10 64.6(5) 1_546 . ?
F1 K2 O10 77.2(7) . . ?
O3 K2 O10 137.3(6) 2_556 . ?
Br1 K2 O10 113.8(5) . . ?
O8 K2 O4 79.9(6) . . ?
O4 K2 O4 100.4(6) 2_556 . ?
O2 K2 O4 92.1(5) 1_546 . ?
F1 K2 O4 124.2(7) . . ?
O3 K2 O4 88.2(5) 2_556 . ?
Br1 K2 O4 160.6(4) . . ?
O10 K2 O4 49.3(6) . . ?
O8 K2 O9 55.3(7) . 2_565 ?
O4 K2 O9 126.7(6) 2_556 2_565 ?
O2 K2 O9 140.3(5) 1_546 2_565 ?
F1 K2 O9 119.3(7) . 2_565 ?
O3 K2 O9 62.6(5) 2_556 2_565 ?
Br1 K2 O9 128.3(4) . 2_565 ?
O10 K2 O9 82.1(6) . 2_565 ?
O4 K2 O9 48.5(5) . 2_565 ?
O8 K2 Br1 91.9(4) . 2_546 ?
O4 K2 Br1 88.7(5) 2_556 2_546 ?
O2 K2 Br1 111.2(3) 1_546 2_546 ?
F1 K2 Br1 70.1(6) . 2_546 ?
O3 K2 Br1 72.1(3) 2_556 2_546 ?
Br1 K2 Br1 35.11(17) . 2_546 ?
O10 K2 Br1 146.7(5) . 2_546 ?
O4 K2 Br1 155.9(4) . 2_546 ?
O9 K2 Br1 108.5(4) 2_565 2_546 ?
O8 K2 Ge2 149.5(5) . 1_546 ?
O4 K2 Ge2 28.1(4) 2_556 1_546 ?
O2 K2 Ge2 27.2(3) 1_546 1_546 ?
F1 K2 Ge2 93.2(6) . 1_546 ?
O3 K2 Ge2 104.9(4) 2_556 1_546 ?
Br1 K2 Ge2 88.70(17) . 1_546 ?
O10 K2 Ge2 88.2(4) . 1_546 ?
O4 K2 Ge2 99.0(4) . 1_546 ?
O9 K2 Ge2 142.6(4) 2_565 1_546 ?
Br1 K2 Ge2 99.34(16) 2_546 1_546 ?
O8 K2 Ge2 75.4(5) . 2_565 ?
O4 K2 Ge2 106.0(5) 2_556 2_565 ?
O2 K2 Ge2 118.2(3) 1_546 2_565 ?
F1 K2 Ge2 136.8(6) . 2_565 ?
O3 K2 Ge2 63.8(4) 2_556 2_565 ?
Br1 K2 Ge2 153.78(18) . 2_565 ?
O10 K2 Ge2 74.0(4) . 2_565 ?
O4 K2 Ge2 28.1(4) . 2_565 ?
O9 K2 Ge2 25.6(4) 2_565 2_565 ?
Br1 K2 Ge2 127.93(17) 2_546 2_565 ?
Ge2 K2 Ge2 117.11(16) 1_546 2_565 ?
O8 K3 O1 122.5(6) 1_565 . ?
O8 K3 O6 145.6(7) 1_565 2_565 ?
O1 K3 O6 89.8(5) . 2_565 ?
O8 K3 O6 88.0(6) 1_565 . ?
O1 K3 O6 63.1(5) . . ?
O6 K3 O6 97.9(5) 2_565 . ?
O8 K3 O5 56.9(5) 1_565 2_565 ?
O1 K3 O5 142.6(4) . 2_565 ?
O6 K3 O5 90.6(5) 2_565 2_565 ?
O6 K3 O5 79.8(5) . 2_565 ?
O8 K3 Br1 80.5(4) 1_565 1_565 ?
O1 K3 Br1 86.4(3) . 1_565 ?
O6 K3 Br1 116.4(4) 2_565 1_565 ?
O6 K3 Br1 134.2(5) . 1_565 ?
O5 K3 Br1 126.1(3) 2_565 1_565 ?
O8 K3 F1 58.9(6) 1_565 1_565 ?
O1 K3 F1 79.8(5) . 1_565 ?
O6 K3 F1 148.6(6) 2_565 1_565 ?
O6 K3 F1 103.4(7) . 1_565 ?
O5 K3 F1 115.5(5) 2_565 1_565 ?
Br1 K3 F1 34.2(5) 1_565 1_565 ?
O8 K3 Br1 91.2(4) 1_565 2_556 ?
O1 K3 Br1 108.4(3) . 2_556 ?
O6 K3 Br1 89.2(4) 2_565 2_556 ?
O6 K3 Br1 168.7(5) . 2_556 ?
O5 K3 Br1 109.0(3) 2_565 2_556 ?
Br1 K3 Br1 34.84(16) 1_565 2_556 ?
F1 K3 Br1 66.8(5) 1_565 2_556 ?
O8 K3 Ge1 148.0(6) 1_565 . ?
O1 K3 Ge1 25.7(2) . . ?
O6 K3 Ge1 65.5(4) 2_565 . ?
O6 K3 Ge1 76.7(4) . . ?
O5 K3 Ge1 143.3(3) 2_565 . ?
Br1 K3 Ge1 90.20(16) 1_565 . ?
F1 K3 Ge1 97.2(5) 1_565 . ?
Br1 K3 Ge1 98.53(15) 2_556 . ?
O8 K3 Ge2 68.1(4) 1_565 . ?
O1 K3 Ge2 86.9(3) . . ?
O6 K3 Ge2 105.7(4) 2_565 . ?
O6 K3 Ge2 24.6(4) . . ?
O5 K3 Ge2 57.2(3) 2_565 . ?
Br1 K3 Ge2 137.3(2) 1_565 . ?
F1 K3 Ge2 103.2(5) 1_565 . ?
Br1 K3 Ge2 158.98(19) 2_556 . ?
Ge1 K3 Ge2 101.14(13) . . ?
O8 K3 Ge1 77.3(4) 1_565 2_565 ?
O1 K3 Ge1 121.8(3) . 2_565 ?
O6 K3 Ge1 75.1(4) 2_565 2_565 ?
O6 K3 Ge1 64.1(4) . 2_565 ?
O5 K3 Ge1 24.7(3) 2_565 2_565 ?
Br1 K3 Ge1 150.65(19) 1_565 2_565 ?
F1 K3 Ge1 135.2(5) 1_565 2_565 ?
Br1 K3 Ge1 126.63(19) 2_556 2_565 ?
Ge1 K3 Ge1 118.63(17) . 2_565 ?
Ge2 K3 Ge1 47.28(8) . 2_565 ?
O8 K3 U1 95.4(5) 1_565 . ?
O1 K3 U1 33.9(2) . . ?
O6 K3 U1 108.7(4) 2_565 . ?
O6 K3 U1 34.8(4) . . ?
O5 K3 U1 112.4(3) 2_565 . ?
Br1 K3 U1 102.1(2) 1_565 . ?
F1 K3 U1 78.4(5) 1_565 . ?
Br1 K3 U1 134.3(2) 2_556 . ?
Ge1 K3 U1 56.43(8) . . ?
Ge2 K3 U1 55.27(7) . . ?
Ge1 K3 U1 98.87(12) 2_565 . ?
O7 K4 O10 150.9(8) . 1_565 ?
O7 K4 F1 68.3(8) . 1_565 ?
O10 K4 F1 84.8(8) 1_565 1_565 ?
O7 K4 O3 120.2(7) . 2_666 ?
O10 K4 O3 57.1(6) 1_565 2_666 ?
F1 K4 O3 72.5(8) 1_565 2_666 ?
O7 K4 O9 130.8(7) . 2_675 ?
O10 K4 O9 77.1(6) 1_565 2_675 ?
F1 K4 O9 140.0(8) 1_565 2_675 ?
O3 K4 O9 67.7(5) 2_666 2_675 ?
O7 K4 O8 87.9(6) . 1_565 ?
O10 K4 O8 69.2(6) 1_565 1_565 ?
F1 K4 O8 61.9(7) 1_565 1_565 ?
O3 K4 O8 110.9(5) 2_666 1_565 ?
O9 K4 O8 137.7(6) 2_675 1_565 ?
O7 K4 O5 70.6(6) . 2_665 ?
O10 K4 O5 138.4(7) 1_565 2_665 ?
F1 K4 O5 134.7(7) 1_565 2_665 ?
O3 K4 O5 114.9(5) 2_666 2_665 ?
O9 K4 O5 63.8(5) 2_675 2_665 ?
O8 K4 O5 134.2(5) 1_565 2_665 ?
O7 K4 K4 109.5(6) . 2_675 ?
O10 K4 K4 88.0(5) 1_565 2_675 ?
F1 K4 K4 149.5(7) 1_565 2_675 ?
O3 K4 K4 126.7(5) 2_666 2_675 ?
O9 K4 K4 65.8(5) 2_675 2_675 ?
O8 K4 K4 87.8(4) 1_565 2_675 ?
O5 K4 K4 64.0(5) 2_665 2_675 ?
O7 K4 Ge1 148.5(5) . 1_565 ?
O10 K4 Ge1 23.0(5) 1_565 1_565 ?
F1 K4 Ge1 98.5(6) 1_565 1_565 ?
O3 K4 Ge1 79.1(4) 2_666 1_565 ?
O9 K4 Ge1 78.0(5) 2_675 1_565 ?
O8 K4 Ge1 61.1(4) 1_565 1_565 ?
O5 K4 Ge1 126.7(5) 2_665 1_565 ?
K4 K4 Ge1 67.10(19) 2_675 1_565 ?
O7 K4 U2 140.0(6) . 1_565 ?
O10 K4 U2 32.3(5) 1_565 1_565 ?
F1 K4 U2 77.3(7) 1_565 1_565 ?
O3 K4 U2 24.9(4) 2_666 1_565 ?
O9 K4 U2 68.4(4) 2_675 1_565 ?
O8 K4 U2 93.5(4) 1_565 1_565 ?
O5 K4 U2 129.1(4) 2_665 1_565 ?
K4 K4 U2 110.5(3) 2_675 1_565 ?
Ge1 K4 U2 54.35(9) 1_565 1_565 ?
O7 K4 U3 97.4(5) . 1_565 ?
O10 K4 U3 69.0(5) 1_565 1_565 ?
F1 K4 U3 85.9(6) 1_565 1_565 ?
O3 K4 U3 122.9(4) 2_666 1_565 ?
O9 K4 U3 119.0(5) 2_675 1_565 ?
O8 K4 U3 24.0(4) 1_565 1_565 ?
O5 K4 U3 117.6(5) 2_665 1_565 ?
K4 K4 U3 63.89(18) 2_675 1_565 ?
Ge1 K4 U3 52.12(8) 1_565 1_565 ?
U2 K4 U3 99.85(14) 1_565 1_565 ?
O7 K4 U3 99.8(5) . 1_665 ?
O10 K4 U3 108.9(5) 1_565 1_665 ?
F1 K4 U3 147.2(6) 1_565 1_665 ?
O3 K4 U3 89.8(4) 2_666 1_665 ?
O9 K4 U3 32.2(4) 2_675 1_665 ?
O8 K4 U3 150.5(5) 1_565 1_665 ?
O5 K4 U3 31.8(3) 2_665 1_665 ?
K4 K4 U3 62.8(3) 2_675 1_665 ?
Ge1 K4 U3 105.1(2) 1_565 1_665 ?
U2 K4 U3 98.29(16) 1_565 1_665 ?
U3 K4 U3 126.6(2) 1_565 1_665 ?
F1 Br1 Br1 141.9(9) . 2_546 ?
F1 Br1 K2 68.0(8) . . ?
Br1 Br1 K2 83.1(3) 2_546 . ?
F1 Br1 K1 55.1(8) . 2_646 ?
Br1 Br1 K1 144.1(3) 2_546 2_646 ?
K2 Br1 K1 123.13(19) . 2_646 ?
F1 Br1 K3 74.8(10) . 1_545 ?
Br1 Br1 K3 78.5(3) 2_546 1_545 ?
K2 Br1 K3 84.86(17) . 1_545 ?
K1 Br1 K3 80.00(16) 2_646 1_545 ?
F1 Br1 K1 52.2(9) . . ?
Br1 Br1 K1 149.7(3) 2_546 . ?
K2 Br1 K1 82.57(16) . . ?
K1 Br1 K1 64.80(16) 2_646 . ?
K3 Br1 K1 126.43(19) 1_545 . ?
F1 Br1 K3 134.8(10) . 2_556 ?
Br1 Br1 K3 66.6(3) 2_546 2_556 ?
K2 Br1 K3 90.82(16) . 2_556 ?
K1 Br1 K3 129.4(2) 2_646 2_556 ?
K3 Br1 K3 145.15(16) 1_545 2_556 ?
K1 Br1 K3 86.96(18) . 2_556 ?
F1 Br1 K2 142.0(9) . 2_546 ?
Br1 Br1 K2 61.8(2) 2_546 2_546 ?
K2 Br1 K2 144.89(17) . 2_546 ?
K1 Br1 K2 89.09(17) 2_646 2_546 ?
K3 Br1 K2 87.95(16) 1_545 2_546 ?
K1 Br1 K2 127.94(19) . 2_546 ?
K3 Br1 K2 75.98(15) 2_556 2_546 ?
Br1 F1 K1 91.4(11) . . ?
Br1 F1 K1 87.1(10) . 2_646 ?
K1 F1 K1 83.4(8) . 2_646 ?
Br1 F1 K4 163.8(14) . 1_545 ?
K1 F1 K4 103.1(10) . 1_545 ?
K1 F1 K4 101.3(9) 2_646 1_545 ?
Br1 F1 K2 75.0(9) . . ?
K1 F1 K2 97.9(10) . . ?
K1 F1 K2 162.0(12) 2_646 . ?
K4 F1 K2 95.8(8) 1_545 . ?
Br1 F1 K3 71.0(10) . 1_545 ?
K1 F1 K3 160.7(11) . 1_545 ?
K1 F1 K3 87.5(9) 2_646 1_545 ?
K4 F1 K3 95.3(8) 1_545 1_545 ?
K2 F1 K3 85.7(7) . 1_545 ?
Ge1 O1 U1 135.9(7) . . ?
Ge1 O1 K1 119.5(6) . 2_656 ?
U1 O1 K1 94.1(4) . 2_656 ?
Ge1 O1 K3 107.0(6) . . ?
U1 O1 K3 98.7(5) . . ?
K1 O1 K3 92.1(4) 2_656 . ?
Ge2 O2 U2 136.1(7) . 1_564 ?
Ge2 O2 K1 112.7(6) . 1_564 ?
U2 O2 K1 97.8(5) 1_564 1_564 ?
Ge2 O2 K2 103.1(6) . 1_564 ?
U2 O2 K2 104.1(5) 1_564 1_564 ?
K1 O2 K2 96.3(5) 1_564 1_564 ?
U2 O3 K1 109.0(7) . 2_656 ?
U2 O3 K4 111.5(10) . 2_666 ?
K1 O3 K4 97.2(6) 2_656 2_666 ?
U2 O3 K2 124.9(9) . 2_556 ?
K1 O3 K2 109.0(7) 2_656 2_556 ?
K4 O3 K2 101.7(5) 2_666 2_556 ?
Ge1 O4 Ge2 125.7(12) . 2_565 ?
Ge1 O4 K2 129.5(10) . 2_556 ?
Ge2 O4 K2 104.8(9) 2_565 2_556 ?
Ge1 O4 K2 95.3(9) . . ?
Ge2 O4 K2 92.3(8) 2_565 . ?
K2 O4 K2 79.6(6) 2_556 . ?
Ge1 O5 U3 127.0(7) . . ?
Ge1 O5 K4 122.4(9) . 2_665 ?
U3 O5 K4 102.2(5) . 2_665 ?
Ge1 O5 K3 105.6(9) . 2_565 ?
U3 O5 K3 94.6(7) . 2_565 ?
K4 O5 K3 97.4(5) 2_665 2_565 ?
Ge2 O6 U1 132.0(11) . . ?
Ge2 O6 K3 112.0(11) . 2_565 ?
U1 O6 K3 112.1(7) . 2_565 ?
Ge2 O6 K3 108.1(10) . . ?
U1 O6 K3 95.8(7) . . ?
K3 O6 K3 82.1(5) 2_565 . ?
U1 O7 K4 151.5(11) . . ?
U1 O7 K1 103.7(9) . 2_656 ?
K4 O7 K1 104.3(7) . 2_656 ?
U3 O8 K2 123.7(11) . . ?
U3 O8 K3 116.5(7) . 1_545 ?
K2 O8 K3 100.0(6) . 1_545 ?
U3 O8 K4 113.6(8) . 1_545 ?
K2 O8 K4 96.8(6) . 1_545 ?
K3 O8 K4 102.7(8) 1_545 1_545 ?
Ge2 O9 U3 129.5(12) . 1_565 ?
Ge2 O9 K4 127.9(11) . 2_675 ?
U3 O9 K4 102.4(8) 1_565 2_675 ?
Ge2 O9 K2 92.5(8) . 2_565 ?
U3 O9 K2 89.1(7) 1_565 2_565 ?
K4 O9 K2 92.1(6) 2_675 2_565 ?
Ge1 O10 U2 132.7(12) . . ?
Ge1 O10 K4 117.7(10) . 1_545 ?
U2 O10 K4 105.1(9) . 1_545 ?
Ge1 O10 K2 100.6(9) . . ?
U2 O10 K2 96.6(8) . . ?
K4 O10 K2 92.4(7) 1_545 . ?

_refine_diff_density_max         182.154
_refine_diff_density_min         -173.944
_refine_diff_density_rms         16.132

####################################################################### 
# 
# 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_Rb2(UO2)3(GeO4)2
_database_code_depnum_ccdc_archive 'CCDC 1970244'
loop_
_audit_author_name
_audit_author_address
'Haijian Li'
;Forschungszentrum Juelich
Germany
;
_audit_update_record             
;
2019-12-05 deposited with the CCDC.	2020-01-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ge2 O14 Rb2 U3'
_chemical_formula_weight         1254.21

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 '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'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 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+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   10.2880(4)
_cell_length_b                   7.6612(2)
_cell_length_c                   16.1444(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1272.46(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3841
_cell_measurement_theta_min      3.1980
_cell_measurement_theta_max      32.1390

_exptl_crystal_description       Column
_exptl_crystal_colour            Green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    6.547
_exptl_crystal_F_000             2104
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    50.395
_shelx_estimated_absorpt_T_min   0.018
_shelx_estimated_absorpt_T_max   0.035
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0
_exptl_absorpt_correction_T_max  0
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  graphite
_diffrn_measurement_method       'SuperNova, Dual, Cu at zero, Eos'
_diffrn_detector_area_resol_mean '\w scans'
_diffrn_reflns_number            11432
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.523
_diffrn_reflns_theta_max         28.276
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             1697
_reflns_number_gt                1504
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0144P)²] 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_number_reflns         1697
_refine_ls_number_parameters     112
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0189
_refine_ls_wR_factor_ref         0.0374
_refine_ls_wR_factor_gt          0.0358
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.62068(3) 0.250000 0.71708(2) 0.00776(7) Uani 1 2 d S T P . .
U2 U 0.64934(3) -0.250000 0.69896(2) 0.00776(7) Uani 1 2 d S T P . .
U3 U 0.50087(3) 0.250000 0.98672(2) 0.00807(7) Uani 1 2 d S T P . .
Ge1 Ge 0.41715(6) -0.00924(7) 0.82737(3) 0.00770(12) Uani 1 1 d . . . . .
Rb1 Rb 0.33751(7) -0.00831(7) 0.57886(4) 0.02286(14) Uani 1 1 d . . . . .
O1 O 0.6750(6) 0.250000 0.9846(3) 0.0114(12) Uani 1 2 d S T P . .
O2 O 0.4568(6) 0.250000 0.8285(3) 0.0124(12) Uani 1 2 d S T P . .
O3 O 0.5091(4) -0.0231(4) 0.7355(2) 0.0104(8) Uani 1 1 d . . . . .
O4 O 0.3262(6) 0.250000 0.9898(3) 0.0121(12) Uani 1 2 d S T P . .
O5 O 0.5326(6) 0.250000 0.6197(3) 0.0106(11) Uani 1 2 d S T P . .
O6 O 0.5055(4) -0.0183(4) 0.9207(2) 0.0080(8) Uani 1 1 d . . . . .
O7 O 0.5773(6) -0.250000 0.5966(3) 0.0131(12) Uani 1 2 d S T P . .
O8 O 0.3725(6) -0.250000 0.8323(3) 0.0116(12) Uani 1 2 d S T P . .
O9 O 0.2469(4) 0.0242(4) 0.8268(2) 0.0094(8) Uani 1 1 d . . . . .
O10 O 0.7234(6) 0.250000 0.8076(3) 0.0155(13) Uani 1 2 d S T P . .
O11 O 0.7064(6) -0.250000 0.8043(3) 0.0146(12) 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
U1 O10 1.804(5) . ?
U1 O5 1.815(5) . ?
U1 O9 2.276(4) 4_556 ?
U1 O9 2.276(4) 6_657 ?
U1 O3 2.404(4) 7_565 ?
U1 O3 2.404(4) . ?
U1 O2 2.466(6) . ?
U1 Ge1 3.3911(6) 7_565 ?
U1 Ge1 3.3911(6) . ?
U1 U2 3.85303(13) 1_565 ?
U1 U2 3.85303(12) . ?
U1 Rb1 4.1692(7) 7_565 ?
U2 O11 1.799(5) . ?
U2 O7 1.811(5) . ?
U2 O3 2.335(4) . ?
U2 O3 2.335(4) 7 ?
U2 O8 2.351(6) 6_657 ?
U2 O9 2.365(3) 6_657 ?
U2 O9 2.365(3) 4_546 ?
U2 Ge1 3.3428(6) 6_657 ?
U2 Ge1 3.3428(6) 4_546 ?
U2 Rb1 4.1809(7) 7 ?
U3 O1 1.792(6) . ?
U3 O4 1.797(6) . ?
U3 O6 2.316(3) 7_565 ?
U3 O6 2.316(3) . ?
U3 O6 2.321(3) 3_657 ?
U3 O6 2.321(3) 5_657 ?
U3 O2 2.594(5) . ?
U3 Ge1 3.3622(6) . ?
U3 Ge1 3.3622(6) 7_565 ?
U3 U3 3.85456(13) 5_667 ?
U3 U3 3.85456(13) 5_657 ?
U3 Rb1 4.1270(7) 4_556 ?
Ge1 O6 1.761(4) . ?
Ge1 O3 1.763(4) . ?
Ge1 O9 1.770(4) . ?
Ge1 O8 1.9024(16) . ?
Ge1 O2 2.0275(14) . ?
Ge1 Rb1 4.0949(8) . ?
Rb1 O1 2.786(4) 6_557 ?
Rb1 O4 2.886(4) 2_554 ?
Rb1 O5 2.895(4) . ?
Rb1 O10 2.942(4) 6_557 ?
Rb1 O11 2.967(4) 6_557 ?
Rb1 O3 3.086(4) . ?
Rb1 O7 3.098(5) . ?
Rb1 O6 3.416(4) 6_557 ?
Rb1 O7 3.565(4) 5_656 ?
Rb1 Rb1 3.7032(11) 7 ?
Rb1 Rb1 3.9580(11) 7_565 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O10 U1 O5 174.1(3) . . ?
O10 U1 O9 85.27(16) . 4_556 ?
O5 U1 O9 90.89(15) . 4_556 ?
O10 U1 O9 85.27(16) . 6_657 ?
O5 U1 O9 90.89(15) . 6_657 ?
O9 U1 O9 98.94(19) 4_556 6_657 ?
O10 U1 O3 100.35(12) . 7_565 ?
O5 U1 O3 82.46(13) . 7_565 ?
O9 U1 O3 69.48(13) 4_556 7_565 ?
O9 U1 O3 166.42(13) 6_657 7_565 ?
O10 U1 O3 100.35(13) . . ?
O5 U1 O3 82.46(13) . . ?
O9 U1 O3 166.42(13) 4_556 . ?
O9 U1 O3 69.48(13) 6_657 . ?
O3 U1 O3 120.92(18) 7_565 . ?
O10 U1 O2 79.0(2) . . ?
O5 U1 O2 106.9(2) . . ?
O9 U1 O2 128.11(10) 4_556 . ?
O9 U1 O2 128.11(10) 6_657 . ?
O3 U1 O2 65.38(10) 7_565 . ?
O3 U1 O2 65.38(10) . . ?
O10 U1 Ge1 86.35(15) . 7_565 ?
O5 U1 Ge1 98.43(15) . 7_565 ?
O9 U1 Ge1 94.04(9) 4_556 7_565 ?
O9 U1 Ge1 163.90(9) 6_657 7_565 ?
O3 U1 Ge1 29.64(9) 7_565 7_565 ?
O3 U1 Ge1 98.62(9) . 7_565 ?
O2 U1 Ge1 36.35(2) . 7_565 ?
O10 U1 Ge1 86.35(15) . . ?
O5 U1 Ge1 98.43(15) . . ?
O9 U1 Ge1 163.90(9) 4_556 . ?
O9 U1 Ge1 94.04(9) 6_657 . ?
O3 U1 Ge1 98.62(9) 7_565 . ?
O3 U1 Ge1 29.64(9) . . ?
O2 U1 Ge1 36.35(2) . . ?
Ge1 U1 Ge1 71.701(19) 7_565 . ?
O10 U1 U2 90.95(2) . 1_565 ?
O5 U1 U2 88.42(2) . 1_565 ?
O9 U1 U2 34.63(9) 4_556 1_565 ?
O9 U1 U2 133.50(9) 6_657 1_565 ?
O3 U1 U2 35.01(9) 7_565 1_565 ?
O3 U1 U2 155.62(9) . 1_565 ?
O2 U1 U2 96.183(6) . 1_565 ?
Ge1 U1 U2 60.320(10) 7_565 1_565 ?
Ge1 U1 U2 132.018(12) . 1_565 ?
O10 U1 U2 90.95(2) . . ?
O5 U1 U2 88.42(2) . . ?
O9 U1 U2 133.50(9) 4_556 . ?
O9 U1 U2 34.62(10) 6_657 . ?
O3 U1 U2 155.62(9) 7_565 . ?
O3 U1 U2 35.01(9) . . ?
O2 U1 U2 96.184(6) . . ?
Ge1 U1 U2 132.019(12) 7_565 . ?
Ge1 U1 U2 60.320(10) . . ?
U2 U1 U2 167.625(12) 1_565 . ?
O10 U1 Rb1 147.47(9) . 7_565 ?
O5 U1 Rb1 35.65(11) . 7_565 ?
O9 U1 Rb1 82.62(10) 4_556 7_565 ?
O9 U1 Rb1 126.38(9) 6_657 7_565 ?
O3 U1 Rb1 47.13(9) 7_565 7_565 ?
O3 U1 Rb1 98.37(9) . 7_565 ?
O2 U1 Rb1 84.98(12) . 7_565 ?
Ge1 U1 Rb1 64.632(14) 7_565 7_565 ?
Ge1 U1 Rb1 97.330(15) . 7_565 ?
U2 U1 Rb1 62.673(9) 1_565 7_565 ?
U2 U1 Rb1 118.997(11) . 7_565 ?
O11 U2 O7 174.9(3) . . ?
O11 U2 O3 87.88(16) . . ?
O7 U2 O3 88.70(16) . . ?
O11 U2 O3 87.88(16) . 7 ?
O7 U2 O3 88.70(16) . 7 ?
O3 U2 O3 96.26(18) . 7 ?
O11 U2 O8 83.3(2) . 6_657 ?
O7 U2 O8 101.8(2) . 6_657 ?
O3 U2 O8 131.12(9) . 6_657 ?
O3 U2 O8 131.12(9) 7 6_657 ?
O11 U2 O9 91.57(13) . 6_657 ?
O7 U2 O9 90.78(12) . 6_657 ?
O3 U2 O9 69.22(13) . 6_657 ?
O3 U2 O9 165.48(13) 7 6_657 ?
O8 U2 O9 63.11(10) 6_657 6_657 ?
O11 U2 O9 91.57(13) . 4_546 ?
O7 U2 O9 90.78(12) . 4_546 ?
O3 U2 O9 165.48(13) . 4_546 ?
O3 U2 O9 69.22(13) 7 4_546 ?
O8 U2 O9 63.11(10) 6_657 4_546 ?
O9 U2 O9 125.30(19) 6_657 4_546 ?
O11 U2 Ge1 81.44(16) . 6_657 ?
O7 U2 Ge1 102.80(15) . 6_657 ?
O3 U2 Ge1 97.50(9) . 6_657 ?
O3 U2 Ge1 162.22(9) 7 6_657 ?
O8 U2 Ge1 33.661(16) 6_657 6_657 ?
O9 U2 Ge1 30.42(10) 6_657 6_657 ?
O9 U2 Ge1 96.77(10) 4_546 6_657 ?
O11 U2 Ge1 81.44(16) . 4_546 ?
O7 U2 Ge1 102.80(15) . 4_546 ?
O3 U2 Ge1 162.22(10) . 4_546 ?
O3 U2 Ge1 97.50(9) 7 4_546 ?
O8 U2 Ge1 33.661(16) 6_657 4_546 ?
O9 U2 Ge1 96.77(10) 6_657 4_546 ?
O9 U2 Ge1 30.42(10) 4_546 4_546 ?
Ge1 U2 Ge1 66.98(2) 6_657 4_546 ?
O11 U2 U1 87.32(2) . 1_545 ?
O7 U2 U1 92.17(2) . 1_545 ?
O3 U2 U1 132.37(9) . 1_545 ?
O3 U2 U1 36.22(9) 7 1_545 ?
O8 U2 U1 95.222(10) 6_657 1_545 ?
O9 U2 U1 158.26(9) 6_657 1_545 ?
O9 U2 U1 33.15(9) 4_546 1_545 ?
Ge1 U2 U1 128.411(13) 6_657 1_545 ?
Ge1 U2 U1 61.585(11) 4_546 1_545 ?
O11 U2 U1 87.32(2) . . ?
O7 U2 U1 92.17(2) . . ?
O3 U2 U1 36.22(9) . . ?
O3 U2 U1 132.37(9) 7 . ?
O8 U2 U1 95.223(10) 6_657 . ?
O9 U2 U1 33.15(9) 6_657 . ?
O9 U2 U1 158.26(10) 4_546 . ?
Ge1 U2 U1 61.586(11) 6_657 . ?
Ge1 U2 U1 128.411(13) 4_546 . ?
U1 U2 U1 167.625(12) 1_545 . ?
O11 U2 Rb1 133.53(16) . 7 ?
O7 U2 Rb1 42.50(14) . 7 ?
O3 U2 Rb1 88.44(10) . 7 ?
O3 U2 Rb1 46.62(9) 7 7 ?
O8 U2 Rb1 130.54(10) 6_657 7 ?
O9 U2 Rb1 129.62(9) 6_657 7 ?
O9 U2 Rb1 81.43(10) 4_546 7 ?
Ge1 U2 Rb1 144.871(15) 6_657 7 ?
Ge1 U2 Rb1 109.216(14) 4_546 7 ?
U1 U2 Rb1 62.366(9) 1_545 7 ?
U1 U2 Rb1 114.631(11) . 7 ?
O1 U3 O4 179.5(2) . . ?
O1 U3 O6 88.33(12) . 7_565 ?
O4 U3 O6 91.92(12) . 7_565 ?
O1 U3 O6 88.33(12) . . ?
O4 U3 O6 91.92(12) . . ?
O6 U3 O6 125.15(17) 7_565 . ?
O1 U3 O6 92.31(14) . 3_657 ?
O4 U3 O6 87.34(14) . 3_657 ?
O6 U3 O6 67.55(15) 7_565 3_657 ?
O6 U3 O6 167.30(9) . 3_657 ?
O1 U3 O6 92.31(14) . 5_657 ?
O4 U3 O6 87.34(14) . 5_657 ?
O6 U3 O6 167.30(9) 7_565 5_657 ?
O6 U3 O6 67.55(15) . 5_657 ?
O6 U3 O6 99.75(17) 3_657 5_657 ?
O1 U3 O2 99.0(2) . . ?
O4 U3 O2 81.5(2) . . ?
O6 U3 O2 63.29(9) 7_565 . ?
O6 U3 O2 63.29(9) . . ?
O6 U3 O2 128.97(9) 3_657 . ?
O6 U3 O2 128.97(9) 5_657 . ?
O1 U3 Ge1 103.99(13) . . ?
O4 U3 Ge1 76.43(13) . . ?
O6 U3 Ge1 100.23(9) 7_565 . ?
O6 U3 Ge1 29.41(9) . . ?
O6 U3 Ge1 159.56(9) 3_657 . ?
O6 U3 Ge1 91.93(9) 5_657 . ?
O2 U3 Ge1 37.05(3) . . ?
O1 U3 Ge1 103.99(13) . 7_565 ?
O4 U3 Ge1 76.43(13) . 7_565 ?
O6 U3 Ge1 29.41(9) 7_565 7_565 ?
O6 U3 Ge1 100.23(9) . 7_565 ?
O6 U3 Ge1 91.93(9) 3_657 7_565 ?
O6 U3 Ge1 159.56(9) 5_657 7_565 ?
O2 U3 Ge1 37.05(3) . 7_565 ?
Ge1 U3 Ge1 72.415(19) . 7_565 ?
O1 U3 U3 90.38(2) . 5_667 ?
O4 U3 U3 89.56(2) . 5_667 ?
O6 U3 U3 33.82(8) 7_565 5_667 ?
O6 U3 U3 158.97(9) . 5_667 ?
O6 U3 U3 33.73(8) 3_657 5_667 ?
O6 U3 U3 133.48(9) 5_657 5_667 ?
O2 U3 U3 96.243(9) . 5_667 ?
Ge1 U3 U3 132.143(14) . 5_667 ?
Ge1 U3 U3 59.796(10) 7_565 5_667 ?
O1 U3 U3 90.38(2) . 5_657 ?
O4 U3 U3 89.56(2) . 5_657 ?
O6 U3 U3 158.97(9) 7_565 5_657 ?
O6 U3 U3 33.82(8) . 5_657 ?
O6 U3 U3 133.48(9) 3_657 5_657 ?
O6 U3 U3 33.73(8) 5_657 5_657 ?
O2 U3 U3 96.243(9) . 5_657 ?
Ge1 U3 U3 59.795(10) . 5_657 ?
Ge1 U3 U3 132.143(14) 7_565 5_657 ?
U3 U3 U3 167.212(16) 5_667 5_657 ?
O1 U3 Rb1 32.45(7) . 4_556 ?
O4 U3 Rb1 147.79(7) . 4_556 ?
O6 U3 Rb1 55.88(10) 7_565 4_556 ?
O6 U3 Rb1 106.88(10) . 4_556 ?
O6 U3 Rb1 79.76(10) 3_657 4_556 ?
O6 U3 Rb1 123.75(10) 5_657 4_556 ?
O2 U3 Rb1 83.93(12) . 4_556 ?
Ge1 U3 Rb1 107.574(15) . 4_556 ?
Ge1 U3 Rb1 74.657(15) 7_565 4_556 ?
U3 U3 Rb1 63.634(11) 5_667 4_556 ?
U3 U3 Rb1 120.596(14) 5_657 4_556 ?
O6 Ge1 O3 116.15(18) . . ?
O6 Ge1 O9 121.41(17) . . ?
O3 Ge1 O9 122.35(18) . . ?
O6 Ge1 O8 92.91(19) . . ?
O3 Ge1 O8 96.1(2) . . ?
O9 Ge1 O8 84.4(2) . . ?
O6 Ge1 O2 85.83(19) . . ?
O3 Ge1 O2 87.63(19) . . ?
O9 Ge1 O2 93.3(2) . . ?
O8 Ge1 O2 176.2(2) . . ?
O6 Ge1 U2 120.82(12) . 6_557 ?
O3 Ge1 U2 107.59(13) . 6_557 ?
O9 Ge1 U2 42.57(11) . 6_557 ?
O8 Ge1 U2 43.23(17) . 6_557 ?
O2 Ge1 U2 135.01(18) . 6_557 ?
O6 Ge1 U3 40.23(10) . . ?
O3 Ge1 U3 122.81(12) . . ?
O9 Ge1 U3 99.92(12) . . ?
O8 Ge1 U3 127.07(16) . . ?
O2 Ge1 U3 50.43(14) . . ?
U2 Ge1 U3 129.375(19) 6_557 . ?
O6 Ge1 U1 98.84(12) . . ?
O3 Ge1 U1 42.42(11) . . ?
O9 Ge1 U1 121.55(11) . . ?
O8 Ge1 U1 137.62(16) . . ?
O2 Ge1 U1 46.13(16) . . ?
U2 Ge1 U1 139.935(18) 6_557 . ?
U3 Ge1 U1 84.125(14) . . ?
O6 Ge1 Rb1 160.33(13) . . ?
O3 Ge1 Rb1 44.19(13) . . ?
O9 Ge1 Rb1 78.25(12) . . ?
O8 Ge1 Rb1 89.66(16) . . ?
O2 Ge1 Rb1 92.72(14) . . ?
U2 Ge1 Rb1 73.227(15) 6_557 . ?
U3 Ge1 Rb1 143.120(17) . . ?
U1 Ge1 Rb1 66.924(14) . . ?
O1 Rb1 O4 85.54(11) 6_557 2_554 ?
O1 Rb1 O5 90.82(12) 6_557 . ?
O4 Rb1 O5 163.05(14) 2_554 . ?
O1 Rb1 O10 60.79(14) 6_557 6_557 ?
O4 Rb1 O10 120.59(16) 2_554 6_557 ?
O5 Rb1 O10 71.03(15) . 6_557 ?
O1 Rb1 O11 113.85(15) 6_557 6_557 ?
O4 Rb1 O11 69.57(13) 2_554 6_557 ?
O5 Rb1 O11 126.66(14) . 6_557 ?
O10 Rb1 O11 80.94(10) 6_557 6_557 ?
O1 Rb1 O3 132.13(11) 6_557 . ?
O4 Rb1 O3 135.92(10) 2_554 . ?
O5 Rb1 O3 56.07(11) . . ?
O10 Rb1 O3 75.07(13) 6_557 . ?
O11 Rb1 O3 73.53(13) 6_557 . ?
O1 Rb1 O7 159.47(14) 6_557 . ?
O4 Rb1 O7 97.32(11) 2_554 . ?
O5 Rb1 O7 80.53(11) . . ?
O10 Rb1 O7 131.46(15) 6_557 . ?
O11 Rb1 O7 85.99(13) 6_557 . ?
O3 Rb1 O7 56.40(11) . . ?
O1 Rb1 O6 54.32(12) 6_557 6_557 ?
O4 Rb1 O6 53.35(11) 2_554 6_557 ?
O5 Rb1 O6 135.08(10) . 6_557 ?
O10 Rb1 O6 67.36(13) 6_557 6_557 ?
O11 Rb1 O6 61.99(13) 6_557 6_557 ?
O3 Rb1 O6 124.72(9) . 6_557 ?
O7 Rb1 O6 141.49(9) . 6_557 ?
O1 Rb1 O7 57.38(14) 6_557 5_656 ?
O4 Rb1 O7 95.96(12) 2_554 5_656 ?
O5 Rb1 O7 68.34(12) . 5_656 ?
O10 Rb1 O7 102.70(9) 6_557 5_656 ?
O11 Rb1 O7 164.41(14) 6_557 5_656 ?
O3 Rb1 O7 122.05(11) . 5_656 ?
O7 Rb1 O7 102.10(8) . 5_656 ?
O6 Rb1 O7 105.06(11) 6_557 5_656 ?
O1 Rb1 Rb1 135.26(8) 6_557 7 ?
O4 Rb1 Rb1 50.10(7) 2_554 7 ?
O5 Rb1 Rb1 133.13(8) . 7 ?
O10 Rb1 Rb1 132.28(7) 6_557 7 ?
O11 Rb1 Rb1 51.39(7) 6_557 7 ?
O3 Rb1 Rb1 87.90(6) . 7 ?
O7 Rb1 Rb1 53.29(7) . 7 ?
O6 Rb1 Rb1 88.71(5) 6_557 7 ?
O7 Rb1 Rb1 123.71(5) 5_656 7 ?
O1 Rb1 Rb1 44.74(8) 6_557 7_565 ?
O4 Rb1 Rb1 129.90(7) 2_554 7_565 ?
O5 Rb1 Rb1 46.87(8) . 7_565 ?
O10 Rb1 Rb1 47.72(7) 6_557 7_565 ?
O11 Rb1 Rb1 128.61(7) 6_557 7_565 ?
O3 Rb1 Rb1 92.10(6) . 7_565 ?
O7 Rb1 Rb1 126.71(7) . 7_565 ?
O6 Rb1 Rb1 91.29(5) 6_557 7_565 ?
O7 Rb1 Rb1 56.29(5) 5_656 7_565 ?
Rb1 Rb1 Rb1 180.00(4) 7 7_565 ?
O1 Rb1 Ge1 118.81(10) 6_557 . ?
O4 Rb1 Ge1 127.12(9) 2_554 . ?
O5 Rb1 Ge1 68.87(9) . . ?
O10 Rb1 Ge1 58.03(10) 6_557 . ?
O11 Rb1 Ge1 57.80(10) 6_557 . ?
O3 Rb1 Ge1 23.46(7) . . ?
O7 Rb1 Ge1 75.45(10) . . ?
O6 Rb1 Ge1 101.42(6) 6_557 . ?
O7 Rb1 Ge1 136.91(7) 5_656 . ?
Rb1 Rb1 Ge1 89.900(10) 7 . ?
Rb1 Rb1 Ge1 90.099(10) 7_565 . ?
U3 O1 Rb1 127.36(14) . 4_556 ?
U3 O1 Rb1 127.36(14) . 6_657 ?
Rb1 O1 Rb1 90.52(16) 4_556 6_657 ?
Ge1 O2 Ge1 156.8(4) 7_565 . ?
Ge1 O2 U1 97.52(16) 7_565 . ?
Ge1 O2 U1 97.52(16) . . ?
Ge1 O2 U3 92.53(14) 7_565 . ?
Ge1 O2 U3 92.53(14) . . ?
U1 O2 U3 126.8(3) . . ?
Ge1 O3 U2 126.07(18) . . ?
Ge1 O3 U1 107.93(16) . . ?
U2 O3 U1 108.77(15) . . ?
Ge1 O3 Rb1 112.35(17) . . ?
U2 O3 Rb1 100.01(12) . . ?
U1 O3 Rb1 98.05(12) . . ?
U3 O4 Rb1 126.68(16) . 2 ?
U3 O4 Rb1 126.68(16) . 8_666 ?
Rb1 O4 Rb1 79.80(14) 2 8_666 ?
U1 O5 Rb1 122.92(15) . 7_565 ?
U1 O5 Rb1 122.92(15) . . ?
Rb1 O5 Rb1 86.26(16) 7_565 . ?
Ge1 O6 U3 110.36(16) . . ?
Ge1 O6 U3 124.51(17) . 5_657 ?
U3 O6 U3 112.45(14) . 5_657 ?
Ge1 O6 Rb1 121.12(16) . 6_657 ?
U3 O6 Rb1 89.99(11) . 6_657 ?
U3 O6 Rb1 92.53(11) 5_657 6_657 ?
U2 O7 Rb1 114.24(19) . 7 ?
U2 O7 Rb1 114.24(19) . . ?
Rb1 O7 Rb1 73.42(13) 7 . ?
U2 O7 Rb1 128.63(19) . 3_646 ?
Rb1 O7 Rb1 77.90(8) 7 3_646 ?
Rb1 O7 Rb1 117.00(16) . 3_646 ?
U2 O7 Rb1 128.63(19) . 5_656 ?
Rb1 O7 Rb1 117.00(16) 7 5_656 ?
Rb1 O7 Rb1 77.90(8) . 5_656 ?
Rb1 O7 Rb1 67.43(10) 3_646 5_656 ?
Ge1 O8 Ge1 151.6(3) . 7 ?
Ge1 O8 U2 103.11(17) . 6_557 ?
Ge1 O8 U2 103.11(17) 7 6_557 ?
Ge1 O9 U1 132.56(19) . 6_557 ?
Ge1 O9 U2 107.01(16) . 6_557 ?
U1 O9 U2 112.22(16) 6_557 6_557 ?
U1 O10 Rb1 137.62(8) . 4_556 ?
U1 O10 Rb1 137.62(8) . 6_657 ?
Rb1 O10 Rb1 84.57(14) 4_556 6_657 ?
U2 O11 Rb1 138.52(11) . 6_657 ?
U2 O11 Rb1 138.52(11) . 4_546 ?
Rb1 O11 Rb1 77.22(13) 6_657 4_546 ?

_refine_diff_density_max         1.538
_refine_diff_density_min         -1.155
_refine_diff_density_rms         0.262

