#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:56:08 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179354 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/51/4325124.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4325124
loop_
_publ_author_name
'Quang Bac Nguyen'
'Hsin-Kuan Liu'
'Wen-Jung Chang'
'Kwang-Hwa Lii'
_publ_section_title
;
 Cs8UIV(UVIO2)3(Ge3O9)3.3H2O: A Mixed-Valence Uranium Germanate with
 9-Ring Channels
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4241
_journal_page_last               4243
_journal_paper_doi               10.1021/ic200508v
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'Cs8 Ge9 H6 O36 U4'
_chemical_formula_weight         3250.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   14.8850(7)
_cell_length_b                   14.8850(7)
_cell_length_c                   11.0320(6)
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.40
_cell_measurement_theta_min      2.43
_cell_volume                     2116.81(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0156
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            23504
_diffrn_reflns_theta_full        28.40
_diffrn_reflns_theta_max         28.40
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    28.404
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5333
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Light-Brown
_exptl_crystal_density_diffrn    5.100
_exptl_crystal_description       Polyhedra
_exptl_crystal_F_000             2780
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.437
_refine_diff_density_min         -0.907
_refine_diff_density_rms         0.182
_refine_ls_extinction_coef       0.00100(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         1860
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0249
_refine_ls_shift/su_max          0.044
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0361P)²+13.2039P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0824
_reflns_number_gt                1637
_reflns_number_total             1860
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200508v_si_001.cif
_cod_data_source_block           1
_cod_database_code               4325124
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cs1 Cs -0.6667 -0.3333 -0.04489(8) 0.03458(19) Uani 1 3 d S
Cs2 Cs -0.33460(2) -0.17252(3) 0.43840(4) 0.02522(14) Uani 1 1 d .
U1 U -1.0000 -1.0000 -0.5000 0.00942(13) Uani 1 6 d S
U2 U -0.5000 -0.5000 0.0000 0.01330(12) Uani 1 2 d S
Ge1 Ge -0.93455(5) -0.62689(5) -0.2500 0.00869(17) Uani 1 2 d S
Ge2 Ge -0.87653(5) -0.80676(5) -0.2500 0.00993(17) Uani 1 2 d S
Ge3 Ge -0.69486(5) -0.56928(5) -0.2500 0.00917(17) Uani 1 2 d S
O1 O -0.7992(4) -0.5443(4) -0.2500 0.0322(16) Uani 1 2 d S
O2 O -0.9867(4) -0.6147(3) -0.3813(4) 0.0351(11) Uani 1 1 d .
O3 O -0.9615(4) -0.7574(4) -0.2500 0.0253(14) Uani 1 2 d S
O4 O -0.8898(3) -0.8715(3) -0.3833(4) 0.0242(9) Uani 1 1 d .
O5 O -0.7459(4) -0.7040(4) -0.2500 0.0266(14) Uani 1 2 d S
O6 O -0.6300(3) -0.5174(3) -0.3830(4) 0.0258(9) Uani 1 1 d .
O7 O -0.4853(3) -0.5956(3) -0.0861(4) 0.0282(9) Uani 1 1 d .
O8 O -0.7026(8) -0.4789(9) 0.2500 0.085(3) Uani 1 2 d S
H8A H -0.7470 -0.5448 0.2500 0.102 Uiso 1 2 d S
H8B H -0.7341 -0.4435 0.2500 0.102 Uiso 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
O6 Cs1 O6 113.85(6) 12_445 11_455
O6 Cs1 O6 113.85(6) 12_445 10
O6 Cs1 O6 113.85(6) 11_455 10
O6 Cs1 O7 93.86(11) 12_445 8
O6 Cs1 O7 51.87(10) 11_455 8
O6 Cs1 O7 152.18(10) 10 8
O6 Cs1 O7 51.87(10) 12_445 9_455
O6 Cs1 O7 152.18(10) 11_455 9_455
O6 Cs1 O7 93.86(11) 10 9_455
O7 Cs1 O7 101.99(9) 8 9_455
O6 Cs1 O7 152.18(10) 12_445 7_445
O6 Cs1 O7 93.86(11) 11_455 7_445
O6 Cs1 O7 51.87(10) 10 7_445
O7 Cs1 O7 101.99(9) 8 7_445
O7 Cs1 O7 101.99(9) 9_455 7_445
O6 Cs1 O1 48.19(11) 12_445 3_445
O6 Cs1 O1 67.47(12) 11_455 3_445
O6 Cs1 O1 124.64(9) 10 3_445
O7 Cs1 O1 75.39(10) 8 3_445
O7 Cs1 O1 99.39(11) 9_455 3_445
O7 Cs1 O1 158.51(11) 7_445 3_445
O6 Cs1 O1 67.47(12) 12_445 .
O6 Cs1 O1 124.64(9) 11_455 .
O6 Cs1 O1 48.19(11) 10 .
O7 Cs1 O1 158.51(11) 8 .
O7 Cs1 O1 75.39(10) 9_455 .
O7 Cs1 O1 99.39(11) 7_445 .
O1 Cs1 O1 83.92(8) 3_445 .
O6 Cs1 O1 124.64(9) 12_445 2_455
O6 Cs1 O1 48.19(11) 11_455 2_455
O6 Cs1 O1 67.47(12) 10 2_455
O7 Cs1 O1 99.39(11) 8 2_455
O7 Cs1 O1 158.51(11) 9_455 2_455
O7 Cs1 O1 75.39(10) 7_445 2_455
O1 Cs1 O1 83.92(8) 3_445 2_455
O1 Cs1 O1 83.92(8) . 2_455
O6 Cs1 O8 106.28(18) 12_445 .
O6 Cs1 O8 127.77(18) 11_455 .
O6 Cs1 O8 75.90(16) 10 .
O7 Cs1 O8 94.73(16) 8 .
O7 Cs1 O8 54.72(18) 9_455 .
O7 Cs1 O8 50.22(18) 7_445 .
O1 Cs1 O8 150.38(18) 3_445 .
O1 Cs1 O8 100.58(15) . .
O1 Cs1 O8 125.55(18) 2_455 .
O6 Cs1 O8 75.90(16) 12_445 3_445
O6 Cs1 O8 106.28(18) 11_455 3_445
O6 Cs1 O8 127.77(18) 10 3_445
O7 Cs1 O8 54.72(18) 8 3_445
O7 Cs1 O8 50.22(18) 9_455 3_445
O7 Cs1 O8 94.73(16) 7_445 3_445
O1 Cs1 O8 100.58(15) 3_445 3_445
O1 Cs1 O8 125.55(18) . 3_445
O1 Cs1 O8 150.38(18) 2_455 3_445
O8 Cs1 O8 53.0(2) . 3_445
O6 Cs1 O8 127.77(18) 12_445 2_455
O6 Cs1 O8 75.90(16) 11_455 2_455
O6 Cs1 O8 106.28(18) 10 2_455
O7 Cs1 O8 50.22(18) 8 2_455
O7 Cs1 O8 94.73(16) 9_455 2_455
O7 Cs1 O8 54.72(18) 7_445 2_455
O1 Cs1 O8 125.55(18) 3_445 2_455
O1 Cs1 O8 150.38(18) . 2_455
O1 Cs1 O8 100.58(15) 2_455 2_455
O8 Cs1 O8 53.0(2) . 2_455
O8 Cs1 O8 53.0(2) 3_445 2_455
O4 Cs2 O2 114.65(10) 7_445 9_565
O4 Cs2 O7 116.61(10) 7_445 4_445
O2 Cs2 O7 121.23(11) 9_565 4_445
O4 Cs2 O8 128.69(15) 7_445 2_455
O2 Cs2 O8 64.6(2) 9_565 2_455
O7 Cs2 O8 61.79(19) 4_445 2_455
O4 Cs2 O2 92.58(10) 7_445 2_456
O2 Cs2 O2 147.37(7) 9_565 2_456
O7 Cs2 O2 52.05(10) 4_445 2_456
O8 Cs2 O2 112.81(19) 2_455 2_456
O4 Cs2 O5 50.18(11) 7_445 7_445
O2 Cs2 O5 128.61(10) 9_565 7_445
O7 Cs2 O5 71.89(12) 4_445 7_445
O8 Cs2 O5 88.42(17) 2_455 7_445
O2 Cs2 O5 82.30(9) 2_456 7_445
O4 Cs2 O6 145.55(9) 7_445 2_456
O2 Cs2 O6 57.40(11) 9_565 2_456
O7 Cs2 O6 91.67(10) 4_445 2_456
O8 Cs2 O6 80.90(16) 2_455 2_456
O2 Cs2 O6 89.99(10) 2_456 2_456
O5 Cs2 O6 163.29(11) 7_445 2_456
O4 Cs2 O4 57.35(13) 7_445 2_456
O2 Cs2 O4 91.08(11) 9_565 2_456
O7 Cs2 O4 141.04(10) 4_445 2_456
O8 Cs2 O4 155.5(2) 2_455 2_456
O2 Cs2 O4 88.98(10) 2_456 2_456
O5 Cs2 O4 106.19(10) 7_445 2_456
O6 Cs2 O4 88.38(9) 2_456 2_456
O4 Cs2 O3 68.60(12) 7_445 9_565
O2 Cs2 O3 49.02(11) 9_565 9_565
O7 Cs2 O3 136.94(9) 4_445 9_565
O8 Cs2 O3 81.57(17) 2_455 9_565
O2 Cs2 O3 161.15(11) 2_456 9_565
O5 Cs2 O3 86.15(9) 7_445 9_565
O6 Cs2 O3 104.79(10) 2_456 9_565
O4 Cs2 O3 79.98(9) 2_456 9_565
O4 Cs2 O1 121.99(11) 7_445 2_456
O2 Cs2 O1 101.63(11) 9_565 2_456
O7 Cs2 O1 73.53(11) 4_445 2_456
O8 Cs2 O1 107.03(14) 2_455 2_456
O2 Cs2 O1 46.43(11) 2_456 2_456
O5 Cs2 O1 128.67(11) 7_445 2_456
O6 Cs2 O1 44.88(10) 2_456 2_456
O4 Cs2 O1 79.41(10) 2_456 2_456
O3 Cs2 O1 143.41(11) 9_565 2_456
O4 Cs2 Ge1 98.41(8) 7_445 2_456
O2 Cs2 Ge1 126.04(8) 9_565 2_456
O7 Cs2 Ge1 71.55(8) 4_445 2_456
O8 Cs2 Ge1 124.04(15) 2_455 2_456
O2 Cs2 Ge1 25.80(7) 2_456 2_456
O5 Cs2 Ge1 105.35(6) 7_445 2_456
O6 Cs2 Ge1 70.99(6) 2_456 2_456
O4 Cs2 Ge1 71.71(7) 2_456 2_456
O3 Cs2 Ge1 151.39(6) 9_565 2_456
O1 Cs2 Ge1 26.49(8) 2_456 2_456
O4 Cs2 Ge2 25.24(7) 7_445 7_445
O2 Cs2 Ge2 117.77(7) 9_565 7_445
O7 Cs2 Ge2 98.36(8) 4_445 7_445
O8 Cs2 Ge2 105.58(13) 2_455 7_445
O2 Cs2 Ge2 94.59(7) 2_456 7_445
O5 Cs2 Ge2 26.94(9) 7_445 7_445
O6 Cs2 Ge2 169.77(7) 2_456 7_445
O4 Cs2 Ge2 82.57(6) 2_456 7_445
O3 Cs2 Ge2 69.01(8) 9_565 7_445
O1 Cs2 Ge2 136.75(8) 2_456 7_445
Ge1 Cs2 Ge2 110.289(14) 2_456 7_445
O4 U1 O4 89.40(16) 7_334 9_454
O4 U1 O4 90.60(16) 7_334 3_435
O4 U1 O4 180.00(17) 9_454 3_435
O4 U1 O4 89.40(16) 7_334 8_544
O4 U1 O4 89.40(16) 9_454 8_544
O4 U1 O4 90.60(16) 3_435 8_544
O4 U1 O4 90.60(16) 7_334 2_345
O4 U1 O4 90.60(16) 9_454 2_345
O4 U1 O4 89.40(16) 3_435 2_345
O4 U1 O4 180.000(1) 8_544 2_345
O4 U1 O4 180.000(1) 7_334 .
O4 U1 O4 90.60(16) 9_454 .
O4 U1 O4 89.40(16) 3_435 .
O4 U1 O4 90.60(16) 8_544 .
O4 U1 O4 89.40(16) 2_345 .
O4 U1 Cs2 42.66(10) 7_334 1_444
O4 U1 Cs2 79.51(10) 9_454 1_444
O4 U1 Cs2 100.49(10) 3_435 1_444
O4 U1 Cs2 130.18(11) 8_544 1_444
O4 U1 Cs2 49.82(11) 2_345 1_444
O4 U1 Cs2 137.34(10) . 1_444
O4 U1 Cs2 137.34(10) 7_334 7_445
O4 U1 Cs2 100.49(10) 9_454 7_445
O4 U1 Cs2 79.51(10) 3_435 7_445
O4 U1 Cs2 49.82(11) 8_544 7_445
O4 U1 Cs2 130.18(11) 2_345 7_445
O4 U1 Cs2 42.66(10) . 7_445
Cs2 U1 Cs2 180.0 1_444 7_445
O4 U1 Cs2 49.82(11) 7_334 9_445
O4 U1 Cs2 137.34(10) 9_454 9_445
O4 U1 Cs2 42.66(10) 3_435 9_445
O4 U1 Cs2 100.49(10) 8_544 9_445
O4 U1 Cs2 79.51(10) 2_345 9_445
O4 U1 Cs2 130.18(11) . 9_445
Cs2 U1 Cs2 62.375(3) 1_444 9_445
Cs2 U1 Cs2 117.625(3) 7_445 9_445
O4 U1 Cs2 130.18(11) 7_334 3_444
O4 U1 Cs2 42.66(10) 9_454 3_444
O4 U1 Cs2 137.34(10) 3_435 3_444
O4 U1 Cs2 79.51(10) 8_544 3_444
O4 U1 Cs2 100.49(10) 2_345 3_444
O4 U1 Cs2 49.82(11) . 3_444
Cs2 U1 Cs2 117.625(3) 1_444 3_444
Cs2 U1 Cs2 62.375(3) 7_445 3_444
Cs2 U1 Cs2 180.0 9_445 3_444
O4 U1 Cs2 100.49(10) 7_334 8_445
O4 U1 Cs2 49.82(11) 9_454 8_445
O4 U1 Cs2 130.18(11) 3_435 8_445
O4 U1 Cs2 137.34(10) 8_544 8_445
O4 U1 Cs2 42.66(10) 2_345 8_445
O4 U1 Cs2 79.51(10) . 8_445
Cs2 U1 Cs2 62.375(3) 1_444 8_445
Cs2 U1 Cs2 117.625(3) 7_445 8_445
Cs2 U1 Cs2 117.625(3) 9_445 8_445
Cs2 U1 Cs2 62.375(3) 3_444 8_445
O4 U1 Cs2 79.51(10) 7_334 2_444
O4 U1 Cs2 130.18(11) 9_454 2_444
O4 U1 Cs2 49.82(11) 3_435 2_444
O4 U1 Cs2 42.66(10) 8_544 2_444
O4 U1 Cs2 137.34(10) 2_345 2_444
O4 U1 Cs2 100.49(10) . 2_444
Cs2 U1 Cs2 117.625(3) 1_444 2_444
Cs2 U1 Cs2 62.375(3) 7_445 2_444
Cs2 U1 Cs2 62.375(3) 9_445 2_444
Cs2 U1 Cs2 117.625(3) 3_444 2_444
Cs2 U1 Cs2 180.0 8_445 2_444
O7 U2 O7 179.999(1) 7_445 .
O7 U2 O6 87.48(17) 7_445 10
O7 U2 O6 92.52(17) . 10
O7 U2 O6 92.52(17) 7_445 4_445
O7 U2 O6 87.48(17) . 4_445
O6 U2 O6 180.0 10 4_445
O7 U2 O2 88.77(19) 7_445 11_455
O7 U2 O2 91.23(19) . 11_455
O6 U2 O2 90.49(15) 10 11_455
O6 U2 O2 89.51(15) 4_445 11_455
O7 U2 O2 91.23(19) 7_445 5_545
O7 U2 O2 88.77(19) . 5_545
O6 U2 O2 89.51(15) 10 5_545
O6 U2 O2 90.49(15) 4_445 5_545
O2 U2 O2 180.0(2) 11_455 5_545
O7 U2 Cs2 138.70(13) 7_445 4_444
O7 U2 Cs2 41.29(13) . 4_444
O6 U2 Cs2 78.69(10) 10 4_444
O6 U2 Cs2 101.31(10) 4_445 4_444
O2 U2 Cs2 129.57(13) 11_455 4_444
O2 U2 Cs2 50.43(13) 5_545 4_444
O7 U2 Cs2 41.30(13) 7_445 10_556
O7 U2 Cs2 138.71(13) . 10_556
O6 U2 Cs2 101.31(10) 10 10_556
O6 U2 Cs2 78.69(10) 4_445 10_556
O2 U2 Cs2 50.43(13) 11_455 10_556
O2 U2 Cs2 129.57(13) 5_545 10_556
Cs2 U2 Cs2 180.0 4_444 10_556
O7 U2 Cs1 135.99(13) 7_445 7_445
O7 U2 Cs1 44.01(14) . 7_445
O6 U2 Cs1 135.44(10) 10 7_445
O6 U2 Cs1 44.56(10) 4_445 7_445
O2 U2 Cs1 98.24(12) 11_455 7_445
O2 U2 Cs1 81.76(12) 5_545 7_445
Cs2 U2 Cs1 62.146(5) 4_444 7_445
Cs2 U2 Cs1 117.854(5) 10_556 7_445
O7 U2 Cs1 44.01(13) 7_445 .
O7 U2 Cs1 135.99(14) . .
O6 U2 Cs1 44.56(10) 10 .
O6 U2 Cs1 135.44(10) 4_445 .
O2 U2 Cs1 81.76(12) 11_455 .
O2 U2 Cs1 98.24(12) 5_545 .
Cs2 U2 Cs1 117.854(5) 4_444 .
Cs2 U2 Cs1 62.146(5) 10_556 .
Cs1 U2 Cs1 180.0 7_445 .
O7 U2 Cs2 78.79(13) 7_445 12_446
O7 U2 Cs2 101.21(13) . 12_446
O6 U2 Cs2 48.94(11) 10 12_446
O6 U2 Cs2 131.06(11) 4_445 12_446
O2 U2 Cs2 137.50(11) 11_455 12_446
O2 U2 Cs2 42.50(11) 5_545 12_446
Cs2 U2 Cs2 62.748(8) 4_444 12_446
Cs2 U2 Cs2 117.252(8) 10_556 12_446
Cs1 U2 Cs2 118.910(5) 7_445 12_446
Cs1 U2 Cs2 61.090(5) . 12_446
O7 U2 Cs2 101.21(13) 7_445 6_554
O7 U2 Cs2 78.79(13) . 6_554
O6 U2 Cs2 131.06(11) 10 6_554
O6 U2 Cs2 48.94(11) 4_445 6_554
O2 U2 Cs2 42.50(11) 11_455 6_554
O2 U2 Cs2 137.50(11) 5_545 6_554
Cs2 U2 Cs2 117.252(8) 4_444 6_554
Cs2 U2 Cs2 62.748(8) 10_556 6_554
Cs1 U2 Cs2 61.090(5) 7_445 6_554
Cs1 U2 Cs2 118.910(5) . 6_554
Cs2 U2 Cs2 180.000(5) 12_446 6_554
O2 Ge1 O2 117.4(4) 10 .
O2 Ge1 O1 110.53(18) 10 .
O2 Ge1 O1 110.53(18) . .
O2 Ge1 O3 104.59(16) 10 .
O2 Ge1 O3 104.59(16) . .
O1 Ge1 O3 108.6(3) . .
O2 Ge1 Cs2 58.80(18) 10 12_446
O2 Ge1 Cs2 175.32(18) . 12_446
O1 Ge1 Cs2 73.95(7) . 12_446
O3 Ge1 Cs2 74.70(6) . 12_446
O2 Ge1 Cs2 175.31(18) 10 3_444
O2 Ge1 Cs2 58.80(18) . 3_444
O1 Ge1 Cs2 73.95(7) . 3_444
O3 Ge1 Cs2 74.70(6) . 3_444
Cs2 Ge1 Cs2 124.86(2) 12_446 3_444
O2 Ge1 Cs2 104.97(17) 10 8_445
O2 Ge1 Cs2 50.16(14) . 8_445
O1 Ge1 Cs2 144.50(8) . 8_445
O3 Ge1 Cs2 60.52(13) . 8_445
Cs2 Ge1 Cs2 126.883(18) 12_446 8_445
Cs2 Ge1 Cs2 70.578(9) 3_444 8_445
O2 Ge1 Cs2 50.16(14) 10 5_444
O2 Ge1 Cs2 104.97(17) . 5_444
O1 Ge1 Cs2 144.50(8) . 5_444
O3 Ge1 Cs2 60.52(13) . 5_444
Cs2 Ge1 Cs2 70.578(9) 12_446 5_444
Cs2 Ge1 Cs2 126.883(18) 3_444 5_444
Cs2 Ge1 Cs2 63.485(17) 8_445 5_444
O4 Ge2 O4 118.1(3) . 10
O4 Ge2 O3 109.34(15) . .
O4 Ge2 O3 109.34(15) 10 .
O4 Ge2 O5 104.67(15) . .
O4 Ge2 O5 104.67(15) 10 .
O3 Ge2 O5 110.4(3) . .
O4 Ge2 Cs2 106.45(14) . 4_444
O4 Ge2 Cs2 50.99(13) 10 4_444
O3 Ge2 Cs2 144.21(7) . 4_444
O5 Ge2 Cs2 59.32(13) . 4_444
O4 Ge2 Cs2 50.99(13) . 7_445
O4 Ge2 Cs2 106.45(14) 10 7_445
O3 Ge2 Cs2 144.21(7) . 7_445
O5 Ge2 Cs2 59.32(13) . 7_445
Cs2 Ge2 Cs2 64.288(17) 4_444 7_445
O4 Ge2 Cs2 176.98(14) . 12_446
O4 Ge2 Cs2 59.62(14) 10 12_446
O3 Ge2 Cs2 73.60(7) . 12_446
O5 Ge2 Cs2 74.56(7) . 12_446
Cs2 Ge2 Cs2 70.608(7) 4_444 12_446
Cs2 Ge2 Cs2 126.952(18) 7_445 12_446
O4 Ge2 Cs2 59.62(14) . 3_444
O4 Ge2 Cs2 176.98(14) 10 3_444
O3 Ge2 Cs2 73.60(7) . 3_444
O5 Ge2 Cs2 74.56(7) . 3_444
Cs2 Ge2 Cs2 126.952(18) 4_444 3_444
Cs2 Ge2 Cs2 70.608(7) 7_445 3_444
Cs2 Ge2 Cs2 122.55(2) 12_446 3_444
O6 Ge3 O6 117.8(3) . 10
O6 Ge3 O5 109.86(15) . .
O6 Ge3 O5 109.86(15) 10 .
O6 Ge3 O1 105.14(16) . .
O6 Ge3 O1 105.14(16) 10 .
O5 Ge3 O1 108.5(3) . .
O6 Ge3 Cs2 59.60(15) . 3_444
O6 Ge3 Cs2 175.40(14) 10 3_444
O5 Ge3 Cs2 74.74(7) . 3_444
O1 Ge3 Cs2 72.71(7) . 3_444
O6 Ge3 Cs2 175.40(14) . 12_446
O6 Ge3 Cs2 59.60(15) 10 12_446
O5 Ge3 Cs2 74.74(7) . 12_446
O1 Ge3 Cs2 72.71(7) . 12_446
Cs2 Ge3 Cs2 122.65(2) 3_444 12_446
O6 Ge3 Cs1 48.31(13) . 10
O6 Ge3 Cs1 107.41(14) 10 10
O5 Ge3 Cs1 142.70(6) . 10
O1 Ge3 Cs1 62.30(13) . 10
Cs2 Ge3 Cs1 68.001(12) 3_444 10
Cs2 Ge3 Cs1 127.820(19) 12_446 10
O6 Ge3 Cs1 107.41(14) . .
O6 Ge3 Cs1 48.32(13) 10 .
O5 Ge3 Cs1 142.70(6) . .
O1 Ge3 Cs1 62.30(13) . .
Cs2 Ge3 Cs1 127.819(19) 3_444 .
Cs2 Ge3 Cs1 68.001(12) 12_446 .
Cs1 Ge3 Cs1 68.52(2) 10 .
Ge1 O1 Ge3 132.2(3) . .
Ge1 O1 Cs1 123.55(16) . 10
Ge3 O1 Cs1 91.59(16) . 10
Ge1 O1 Cs1 123.55(16) . .
Ge3 O1 Cs1 91.60(16) . .
Cs1 O1 Cs1 78.92(11) 10 .
Ge1 O1 Cs2 79.56(10) . 3_444
Ge3 O1 Cs2 80.82(10) . 3_444
Cs1 O1 Cs2 74.24(2) 10 3_444
Cs1 O1 Cs2 151.82(13) . 3_444
Ge1 O1 Cs2 79.56(10) . 12_446
Ge3 O1 Cs2 80.82(10) . 12_446
Cs1 O1 Cs2 151.82(13) 10 12_446
Cs1 O1 Cs2 74.24(2) . 12_446
Cs2 O1 Cs2 130.22(15) 3_444 12_446
Ge1 O2 U2 143.3(2) . 6_454
Ge1 O2 Cs2 105.40(18) . 8_445
U2 O2 Cs2 108.79(15) 6_454 8_445
Ge1 O2 Cs2 95.40(19) . 3_444
U2 O2 Cs2 98.39(16) 6_454 3_444
Cs2 O2 Cs2 88.52(11) 8_445 3_444
Ge2 O3 Ge1 130.0(3) . .
Ge2 O3 Cs2 125.32(16) . 8_445
Ge1 O3 Cs2 92.80(15) . 8_445
Ge2 O3 Cs2 125.32(16) . 5_444
Ge1 O3 Cs2 92.80(15) . 5_444
Cs2 O3 Cs2 74.26(10) 8_445 5_444
Ge2 O4 U1 144.5(2) . .
Ge2 O4 Cs2 103.77(16) . 7_445
U1 O4 Cs2 108.77(14) . 7_445
Ge2 O4 Cs2 94.52(16) . 3_444
U1 O4 Cs2 100.39(14) . 3_444
Cs2 O4 Cs2 87.79(10) 7_445 3_444
Ge3 O5 Ge2 130.3(3) . .
Ge3 O5 Cs2 123.72(16) . 7_445
Ge2 O5 Cs2 93.74(16) . 7_445
Ge3 O5 Cs2 123.72(16) . 4_444
Ge2 O5 Cs2 93.74(16) . 4_444
Cs2 O5 Cs2 76.24(11) 7_445 4_444
Ge3 O6 U2 143.9(2) . 4_444
Ge3 O6 Cs1 107.74(16) . 10
U2 O6 Cs1 105.66(14) 4_444 10
Ge3 O6 Cs2 94.56(16) . 3_444
U2 O6 Cs2 101.31(14) 4_444 3_444
Cs1 O6 Cs2 85.39(10) 10 3_444
U2 O7 Cs2 116.39(18) . 4_444
U2 O7 Cs1 113.37(18) . 7_445
Cs2 O7 Cs1 87.42(10) 4_444 7_445
Cs2 O8 Cs2 79.8(3) 12_446 3_445
Cs2 O8 Cs1 152.8(3) 12_446 10_556
Cs2 O8 Cs1 77.82(5) 3_445 10_556
Cs2 O8 Cs1 77.82(5) 12_446 .
Cs2 O8 Cs1 152.8(3) 3_445 .
Cs1 O8 Cs1 118.0(3) 10_556 .
Cs2 O8 H8A 40.0 12_446 .
Cs2 O8 H8A 40.0 3_445 .
Cs1 O8 H8A 117.1 10_556 .
Cs1 O8 H8A 117.1 . .
Cs2 O8 H8B 103.2 12_446 .
Cs2 O8 H8B 103.2 3_445 .
Cs1 O8 H8B 67.4 10_556 .
Cs1 O8 H8B 67.4 . .
H8A O8 H8B 110.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1 O6 3.152(4) 12_445
Cs1 O6 3.152(4) 11_455
Cs1 O6 3.152(4) 10
Cs1 O7 3.274(4) 8
Cs1 O7 3.274(4) 9_455
Cs1 O7 3.274(4) 7_445
Cs1 O1 3.560(4) 3_445
Cs1 O1 3.560(4) .
Cs1 O1 3.560(4) 2_455
Cs1 O8 3.795(6) .
Cs1 O8 3.795(6) 3_445
Cs1 O8 3.795(6) 2_455
Cs2 O4 3.125(4) 7_445
Cs2 O2 3.146(4) 9_565
Cs2 O7 3.150(4) 4_445
Cs2 O8 3.239(9) 2_455
Cs2 O2 3.332(5) 2_456
Cs2 O5 3.367(4) 7_445
Cs2 O6 3.390(4) 2_456
Cs2 O4 3.392(4) 2_456
Cs2 O3 3.443(4) 9_565
Cs2 O1 3.790(2) 2_456
Cs2 Ge1 3.8780(6) 2_456
Cs2 Ge2 3.9066(7) 7_445
U1 O4 2.206(4) 7_334
U1 O4 2.206(4) 9_454
U1 O4 2.206(4) 3_435
U1 O4 2.206(4) 8_544
U1 O4 2.206(4) 2_345
U1 O4 2.206(4) .
U1 Cs2 4.3672(4) 1_444
U1 Cs2 4.3672(4) 7_445
U1 Cs2 4.3672(4) 9_445
U1 Cs2 4.3672(4) 3_444
U1 Cs2 4.3672(4) 8_445
U1 Cs2 4.3672(4) 2_444
U2 O7 1.812(4) 7_445
U2 O7 1.812(4) .
U2 O6 2.231(4) 10
U2 O6 2.231(4) 4_445
U2 O2 2.237(4) 11_455
U2 O2 2.237(4) 5_545
U2 Cs2 4.2759(4) 4_444
U2 Cs2 4.2759(4) 10_556
U2 Cs1 4.3253(2) 7_445
U2 Cs2 4.4091(4) 12_446
U2 Cs2 4.4091(4) 6_554
Ge1 O2 1.695(4) 10
Ge1 O2 1.695(4) .
Ge1 O1 1.759(5) .
Ge1 O3 1.776(5) .
Ge1 Cs2 3.8779(6) 12_446
Ge1 Cs2 3.8779(6) 3_444
Ge1 Cs2 3.9507(7) 8_445
Ge1 Cs2 3.9507(7) 5_444
Ge2 O4 1.715(4) .
Ge2 O4 1.715(4) 10
Ge2 O3 1.752(5) .
Ge2 O5 1.774(5) .
Ge2 Cs2 3.9065(7) 4_444
Ge2 Cs2 3.9065(7) 7_445
Ge2 Cs2 3.9198(6) 12_446
Ge2 Cs2 3.9198(6) 3_444
Ge3 O6 1.713(4) .
Ge3 O6 1.713(4) 10
Ge3 O5 1.754(5) .
Ge3 O1 1.769(5) .
Ge3 Cs2 3.9181(6) 3_444
Ge3 Cs2 3.9181(6) 12_446
Ge3 Cs1 4.0195(8) 10
O1 Cs1 3.560(4) 10
O1 Cs2 3.790(2) 3_444
O1 Cs2 3.790(2) 12_446
O2 U2 2.237(4) 6_454
O2 Cs2 3.146(4) 8_445
O2 Cs2 3.332(5) 3_444
O3 Cs2 3.443(4) 8_445
O3 Cs2 3.443(4) 5_444
O4 Cs2 3.125(4) 7_445
O4 Cs2 3.392(4) 3_444
O5 Cs2 3.367(4) 7_445
O5 Cs2 3.367(4) 4_444
O6 U2 2.231(4) 4_444
O6 Cs1 3.152(4) 10
O6 Cs2 3.390(4) 3_444
O7 Cs2 3.150(4) 4_444
O7 Cs1 3.274(4) 7_445
O8 Cs2 3.239(9) 12_446
O8 Cs2 3.239(9) 3_445
O8 Cs1 3.795(6) 10_556
O8 H8A 0.8662 .
O8 H8B 0.8612 .
