#------------------------------------------------------------------------------
#$Date: 2021-04-16 12:23:41 +0300 (Fri, 16 Apr 2021) $
#$Revision: 264249 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/18/1561865.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_1561865
loop_
_publ_author_name
'Ward, Matthew D.'
'Oh, George N.'
'Mesbah, Adel'
'Lee, Minseong'
'Sang Choi, Eun'
'Ibers, James A.'
_publ_section_title
;
 Syntheses and characterization of the cubic uranium chalcogenides
 Rh2U6S15, Cs2Ti2U6Se15, Cs2Cr2U6Se15, and Cs2Ti2U6Te15
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              14
_journal_page_last               19
_journal_paper_doi               10.1016/j.jssc.2015.04.005
_journal_volume                  228
_journal_year                    2015
_chemical_formula_moiety         'Cr2 Se15 U6, 0.06(Cs12), 1.25(Cs)'
_chemical_formula_sum            'Cr2 Cs2 Se15 U6'
_chemical_formula_weight         2982.40
_space_group_crystal_system      cubic
_space_group_IT_number           229
_space_group_name_Hall           '-I 4 2 3'
_space_group_name_H-M_alt        'I m -3 m'
_atom_sites_solution_hydrogens   .
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9184(3)
_cell_length_b                   13.9184(3)
_cell_length_c                   13.9184(3)
_cell_measurement_reflns_used    4049
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.63
_cell_measurement_theta_min      5.07
_cell_volume                     2696.30(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Crystalmaker (Palmer, 2013)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1039
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28010
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.121
_diffrn_reflns_theta_min         3.586
_exptl_absorpt_coefficient_mu    59.574
_exptl_absorpt_correction_T_max  0.4353
_exptl_absorpt_correction_T_min  0.2589
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed, SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    7.347
_exptl_crystal_description       Chunk
_exptl_crystal_F_000             4880
_exptl_crystal_size_max          0.045
_exptl_crystal_size_mid          0.041
_exptl_crystal_size_min          0.031
_refine_diff_density_max         2.671
_refine_diff_density_min         -3.458
_refine_diff_density_rms         0.324
_refine_ls_extinction_coef       0.000174(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.598
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     23
_refine_ls_number_reflns         550
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.596
_refine_ls_R_factor_all          0.0233
_refine_ls_R_factor_gt           0.0196
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0080P)²] where P=(1.0000Fo²+0.0000Fc²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0391
_refine_ls_wR_factor_ref         0.0397
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                498
_reflns_number_total             550
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            4.cif
_cod_data_source_block           4
_cod_original_cell_volume        2696.30(17)
_cod_database_code               1561865
_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.
;
_shelxl_version_number           2014-1
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1/2, -x+1/2, -y+1/2'
'-z+1/2, -x+1/2, y+1/2'
'-z+1/2, x+1/2, -y+1/2'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x+1/2'
'-y+1/2, -z+1/2, x+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'x+1/2, z+1/2, -y+1/2'
'-x+1/2, z+1/2, y+1/2'
'-x+1/2, -z+1/2, -y+1/2'
'x+1/2, -z+1/2, y+1/2'
'z+1/2, y+1/2, -x+1/2'
'z+1/2, -y+1/2, x+1/2'
'-z+1/2, y+1/2, x+1/2'
'-z+1/2, -y+1/2, -x+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-z+1/2, -x+1/2, -y+1/2'
'-z+1/2, x+1/2, y+1/2'
'z+1/2, x+1/2, -y+1/2'
'z+1/2, -x+1/2, y+1/2'
'-y+1/2, -z+1/2, -x+1/2'
'y+1/2, -z+1/2, x+1/2'
'-y+1/2, z+1/2, x+1/2'
'y+1/2, z+1/2, -x+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-x+1/2, -z+1/2, y+1/2'
'x+1/2, -z+1/2, -y+1/2'
'x+1/2, z+1/2, y+1/2'
'-x+1/2, z+1/2, -y+1/2'
'-z+1/2, -y+1/2, x+1/2'
'-z+1/2, y+1/2, -x+1/2'
'z+1/2, -y+1/2, -x+1/2'
'z+1/2, y+1/2, x+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_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 0.0000 0.29391(2) 0.29391(2) 0.00535(9) Uani 1 4 d S T P . .
Cs1 Cs 0.0000 0.5000 0.5000 0.0082(3) Uani 0.830(4) 16 d S T P . .
Cs2 Cs 0.1045(10) 0.0000 0.0000 0.144(5) Uani 0.2516(18) 8 d S T P . .
Se2 Se 0.2500 0.0000 0.5000 0.00742(19) Uani 1 8 d S T P . .
Se1 Se 0.12899(3) 0.12899(3) 0.31142(4) 0.00570(11) Uani 1 2 d S T P . .
Cr1 Cr 0.2500 0.2500 0.2500 0.0051(4) Uani 1 12 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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
Se1 U1 Se1 75.76(2) 52 59
Se1 U1 Se1 120.52(2) 52 9
Se1 U1 Se1 75.75(2) 59 9
Se1 U1 Se1 75.75(2) 52 .
Se1 U1 Se1 120.52(2) 59 .
Se1 U1 Se1 75.76(2) 9 .
Se1 U1 Se2 141.728(10) 52 9
Se1 U1 Se2 75.812(10) 59 9
Se1 U1 Se2 75.812(10) 9 9
Se1 U1 Se2 141.729(10) . 9
Se1 U1 Se2 75.812(10) 52 77
Se1 U1 Se2 141.728(10) 59 77
Se1 U1 Se2 141.728(10) 9 77
Se1 U1 Se2 75.813(10) . 77
Se2 U1 Se2 114.054(9) 9 77
Se1 U1 Se1 141.243(8) 52 77
Se1 U1 Se1 141.243(8) 59 77
Se1 U1 Se1 73.551(16) 9 77
Se1 U1 Se1 73.552(16) . 77
Se2 U1 Se1 74.191(6) 9 77
Se2 U1 Se1 74.191(7) 77 77
Se1 U1 Se1 73.551(16) 52 30_455
Se1 U1 Se1 73.551(16) 59 30_455
Se1 U1 Se1 141.243(8) 9 30_455
Se1 U1 Se1 141.243(8) . 30_455
Se2 U1 Se1 74.191(6) 9 30_455
Se2 U1 Se1 74.191(6) 77 30_455
Se1 U1 Se1 119.93(2) 77 30_455
Se1 U1 Cs1 119.741(11) 52 .
Se1 U1 Cs1 119.741(11) 59 .
Se1 U1 Cs1 119.741(11) 9 .
Se1 U1 Cs1 119.742(11) . .
Se2 U1 Cs1 57.027(5) 9 .
Se2 U1 Cs1 57.027(5) 77 .
Se1 U1 Cs1 59.963(11) 77 .
Se1 U1 Cs1 59.963(11) 30_455 .
Se1 U1 Cs2 52.07(8) 52 9
Se1 U1 Cs2 69.20(10) 59 9
Se1 U1 Cs2 69.20(10) 9 9
Se1 U1 Cs2 52.07(8) . 9
Se2 U1 Cs2 135.17(13) 9 9
Se2 U1 Cs2 110.77(13) 77 9
Se1 U1 Cs2 119.292(19) 77 9
Se1 U1 Cs2 119.29(2) 30_455 9
Cs1 U1 Cs2 167.80(13) . 9
Se1 U1 Cs2 69.20(10) 52 5
Se1 U1 Cs2 52.07(8) 59 5
Se1 U1 Cs2 52.07(8) 9 5
Se1 U1 Cs2 69.20(10) . 5
Se2 U1 Cs2 110.77(13) 9 5
Se2 U1 Cs2 135.17(13) 77 5
Se1 U1 Cs2 119.292(19) 77 5
Se1 U1 Cs2 119.29(2) 30_455 5
Cs1 U1 Cs2 167.80(13) . 5
Cs2 U1 Cs2 24.4(3) 9 5
Se2 Cs1 Se2 180.0 57_566 9
Se2 Cs1 Se2 90.0 57_566 77
Se2 Cs1 Se2 90.0 9 77
Se2 Cs1 Se2 90.0 57_566 29_455
Se2 Cs1 Se2 90.0 9 29_455
Se2 Cs1 Se2 180.0 77 29_455
Se2 Cs1 Se1 60.552(5) 57_566 78
Se2 Cs1 Se1 119.448(5) 9 78
Se2 Cs1 Se1 119.448(5) 77 78
Se2 Cs1 Se1 60.552(5) 29_455 78
Se2 Cs1 Se1 119.448(5) 57_566 30_455
Se2 Cs1 Se1 60.552(5) 9 30_455
Se2 Cs1 Se1 60.552(5) 77 30_455
Se2 Cs1 Se1 119.448(5) 29_455 30_455
Se1 Cs1 Se1 180.000(10) 78 30_455
Se2 Cs1 Se1 119.448(5) 57_566 79_455
Se2 Cs1 Se1 60.552(5) 9 79_455
Se2 Cs1 Se1 119.448(5) 77 79_455
Se2 Cs1 Se1 60.552(5) 29_455 79_455
Se1 Cs1 Se1 121.104(9) 78 79_455
Se1 Cs1 Se1 58.896(9) 30_455 79_455
Se2 Cs1 Se1 60.552(5) 57_566 31
Se2 Cs1 Se1 119.448(5) 9 31
Se2 Cs1 Se1 60.552(5) 77 31
Se2 Cs1 Se1 119.448(5) 29_455 31
Se1 Cs1 Se1 58.896(9) 78 31
Se1 Cs1 Se1 121.104(9) 30_455 31
Se1 Cs1 Se1 180.0 79_455 31
Se2 Cs1 Se1 60.552(5) 57_566 80_455
Se2 Cs1 Se1 119.448(5) 9 80_455
Se2 Cs1 Se1 60.552(5) 77 80_455
Se2 Cs1 Se1 119.448(5) 29_455 80_455
Se1 Cs1 Se1 121.104(9) 78 80_455
Se1 Cs1 Se1 58.896(9) 30_455 80_455
Se1 Cs1 Se1 88.099(16) 79_455 80_455
Se1 Cs1 Se1 91.901(16) 31 80_455
Se2 Cs1 Se1 119.448(5) 57_566 32
Se2 Cs1 Se1 60.552(5) 9 32
Se2 Cs1 Se1 119.448(5) 77 32
Se2 Cs1 Se1 60.552(5) 29_455 32
Se1 Cs1 Se1 58.896(10) 78 32
Se1 Cs1 Se1 121.104(9) 30_455 32
Se1 Cs1 Se1 91.901(16) 79_455 32
Se1 Cs1 Se1 88.099(16) 31 32
Se1 Cs1 Se1 180.0 80_455 32
Se2 Cs1 Se1 119.448(5) 57_566 77
Se2 Cs1 Se1 60.552(5) 9 77
Se2 Cs1 Se1 60.552(5) 77 77
Se2 Cs1 Se1 119.448(5) 29_455 77
Se1 Cs1 Se1 88.099(16) 78 77
Se1 Cs1 Se1 91.901(16) 30_455 77
Se1 Cs1 Se1 121.104(9) 79_455 77
Se1 Cs1 Se1 58.896(9) 31 77
Se1 Cs1 Se1 121.104(9) 80_455 77
Se1 Cs1 Se1 58.896(9) 32 77
Se2 Cs1 Se1 60.552(5) 57_566 29_455
Se2 Cs1 Se1 119.448(5) 9 29_455
Se2 Cs1 Se1 119.448(5) 77 29_455
Se2 Cs1 Se1 60.552(5) 29_455 29_455
Se1 Cs1 Se1 91.901(16) 78 29_455
Se1 Cs1 Se1 88.099(16) 30_455 29_455
Se1 Cs1 Se1 58.896(9) 79_455 29_455
Se1 Cs1 Se1 121.104(9) 31 29_455
Se1 Cs1 Se1 58.896(9) 80_455 29_455
Se1 Cs1 Se1 121.104(9) 32 29_455
Se1 Cs1 Se1 180.0 77 29_455
Cs2 Cs2 Cs2 60.0 57 53
Cs2 Cs2 Cs2 90.0 57 9
Cs2 Cs2 Cs2 60.0 53 9
Cs2 Cs2 Cs2 60.0 57 5
Cs2 Cs2 Cs2 90.0 53 5
Cs2 Cs2 Cs2 60.0 9 5
Cs2 Cs2 Cs2 45.0 57 49
Cs2 Cs2 Cs2 45.0 53 49
Cs2 Cs2 Cs2 45.0 9 49
Cs2 Cs2 Cs2 45.0 5 49
Cs2 Cs2 Se1 149.44(2) 57 5
Cs2 Cs2 Se1 149.44(2) 53 5
Cs2 Cs2 Se1 101.52(11) 9 5
Cs2 Cs2 Se1 101.52(11) 5 5
Cs2 Cs2 Se1 138.60(13) 49 5
Cs2 Cs2 Se1 149.44(2) 57 56
Cs2 Cs2 Se1 101.52(11) 53 56
Cs2 Cs2 Se1 101.52(11) 9 56
Cs2 Cs2 Se1 149.44(2) 5 56
Cs2 Cs2 Se1 138.60(13) 49 56
Se1 Cs2 Se1 55.76(16) 5 56
Cs2 Cs2 Se1 101.52(11) 57 55
Cs2 Cs2 Se1 149.44(2) 53 55
Cs2 Cs2 Se1 149.44(2) 9 55
Cs2 Cs2 Se1 101.52(11) 5 55
Cs2 Cs2 Se1 138.60(13) 49 55
Se1 Cs2 Se1 55.76(16) 5 55
Se1 Cs2 Se1 82.8(3) 56 55
Cs2 Cs2 Se1 101.52(11) 57 6
Cs2 Cs2 Se1 101.52(11) 53 6
Cs2 Cs2 Se1 149.44(2) 9 6
Cs2 Cs2 Se1 149.44(2) 5 6
Cs2 Cs2 Se1 138.60(13) 49 6
Se1 Cs2 Se1 82.8(3) 5 6
Se1 Cs2 Se1 55.76(16) 56 6
Se1 Cs2 Se1 55.76(16) 55 6
Cs2 Cs2 U1 112.52(8) 57 9
Cs2 Cs2 U1 167.80(13) 53 9
Cs2 Cs2 U1 112.52(8) 9 9
Cs2 Cs2 U1 77.80(13) 5 9
Cs2 Cs2 U1 122.80(13) 49 9
Se1 Cs2 U1 36.93(6) 5 9
Se1 Cs2 U1 89.2(2) 56 9
Se1 Cs2 U1 36.93(6) 55 9
Se1 Cs2 U1 89.2(2) 6 9
Cs2 Cs2 U1 167.80(13) 57 5
Cs2 Cs2 U1 112.52(8) 53 5
Cs2 Cs2 U1 77.80(13) 9 5
Cs2 Cs2 U1 112.52(8) 5 5
Cs2 Cs2 U1 122.80(13) 49 5
Se1 Cs2 U1 36.93(6) 5 5
Se1 Cs2 U1 36.93(6) 56 5
Se1 Cs2 U1 89.2(2) 55 5
Se1 Cs2 U1 89.2(2) 6 5
U1 Cs2 U1 72.94(12) 9 5
Cs2 Cs2 U1 77.80(13) 57 6
Cs2 Cs2 U1 112.52(8) 53 6
Cs2 Cs2 U1 167.80(13) 9 6
Cs2 Cs2 U1 112.52(8) 5 6
Cs2 Cs2 U1 122.80(13) 49 6
Se1 Cs2 U1 89.2(2) 5 6
Se1 Cs2 U1 89.2(2) 56 6
Se1 Cs2 U1 36.93(6) 55 6
Se1 Cs2 U1 36.93(6) 6 6
U1 Cs2 U1 72.94(12) 9 6
U1 Cs2 U1 114.4(3) 5 6
U1 Se2 U1 92.488(2) 34_545 6_556
U1 Se2 U1 155.947(9) 34_545 81
U1 Se2 U1 92.488(2) 6_556 81
U1 Se2 U1 92.488(2) 34_545 5
U1 Se2 U1 155.947(9) 6_556 5
U1 Se2 U1 92.488(2) 81 5
U1 Se2 Cs1 77.973(4) 34_545 33_445
U1 Se2 Cs1 102.027(4) 6_556 33_445
U1 Se2 Cs1 77.973(5) 81 33_445
U1 Se2 Cs1 102.027(5) 5 33_445
U1 Se2 Cs1 102.027(4) 34_545 5
U1 Se2 Cs1 77.973(4) 6_556 5
U1 Se2 Cs1 102.027(5) 81 5
U1 Se2 Cs1 77.973(5) 5 5
Cs1 Se2 Cs1 180.0 33_445 5
Cr1 Se1 U1 81.838(10) . 5
Cr1 Se1 U1 81.838(10) . .
U1 Se1 U1 163.11(2) 5 .
Cr1 Se1 U1 79.705(15) . 81
U1 Se1 U1 90.667(11) 5 81
U1 Se1 U1 90.666(11) . 81
Cr1 Se1 Cs1 153.792(19) . 33_445
U1 Se1 Cs1 98.279(10) 5 33_445
U1 Se1 Cs1 98.279(10) . 33_445
U1 Se1 Cs1 74.087(12) 81 33_445
Cr1 Se1 Cs2 111.66(13) . 9
U1 Se1 Cs2 91.00(2) 5 9
U1 Se1 Cs2 91.00(2) . 9
U1 Se1 Cs2 168.64(13) 81 9
Cs1 Se1 Cs2 94.55(13) 33_445 9
Se1 Cr1 Se1 180.0 81 9
Se1 Cr1 Se1 90.385(17) 81 73
Se1 Cr1 Se1 89.615(17) 9 73
Se1 Cr1 Se1 89.615(17) 81 5
Se1 Cr1 Se1 90.385(16) 9 5
Se1 Cr1 Se1 89.615(17) 73 5
Se1 Cr1 Se1 90.385(16) 81 77
Se1 Cr1 Se1 89.615(16) 9 77
Se1 Cr1 Se1 90.385(17) 73 77
Se1 Cr1 Se1 180.000(13) 5 77
Se1 Cr1 Se1 89.615(17) 81 .
Se1 Cr1 Se1 90.385(17) 9 .
Se1 Cr1 Se1 180.0 73 .
Se1 Cr1 Se1 90.385(17) 5 .
Se1 Cr1 Se1 89.615(17) 77 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 Se1 2.92429(17) 52
U1 Se1 2.92429(17) 59
U1 Se1 2.92429(17) 9
U1 Se1 2.92429(17) .
U1 Se2 2.93285(16) 9
U1 Se2 2.93285(16) 77
U1 Se1 3.0319(5) 77
U1 Se1 3.0319(5) 30_455
U1 Cs1 4.0566(3) .
U1 Cs2 4.867(7) 9
U1 Cs2 4.867(7) 5
Cs1 Se2 3.47960(8) 57_566
Cs1 Se2 3.47960(8) 9
Cs1 Se2 3.47960(8) 77
Cs1 Se2 3.47960(8) 29_455
Cs1 Se1 3.6518(5) 78
Cs1 Se1 3.6518(5) 30_455
Cs1 Se1 3.6518(5) 79_455
Cs1 Se1 3.6518(5) 31
Cs1 Se1 3.6518(5) 80_455
Cs1 Se1 3.6518(5) 32
Cs1 Se1 3.6518(5) 77
Cs1 Se1 3.6518(5) 29_455
Cs2 Cs2 2.057(19) 57
Cs2 Cs2 2.057(19) 53
Cs2 Cs2 2.057(19) 9
Cs2 Cs2 2.057(19) 5
Cs2 Cs2 2.91(3) 49
Cs2 Se1 3.839(10) 5
Cs2 Se1 3.839(10) 56
Cs2 Se1 3.839(10) 55
Cs2 Se1 3.839(10) 6
Cs2 U1 4.867(7) 9
Cs2 U1 4.867(7) 5
Cs2 U1 4.867(7) 6
Se2 U1 2.93286(16) 34_545
Se2 U1 2.93286(16) 6_556
Se2 U1 2.93286(16) 81
Se2 U1 2.93286(16) 5
Se2 Cs1 3.47960(8) 33_445
Se2 Cs1 3.47960(8) 5
Se1 Cr1 2.5307(5) .
Se1 U1 2.92429(17) 5
Se1 U1 3.0319(5) 81
Se1 Cs1 3.6518(5) 33_445
Se1 Cs2 3.839(10) 9
Cr1 Se1 2.5307(5) 81
Cr1 Se1 2.5307(5) 9
Cr1 Se1 2.5307(5) 73
Cr1 Se1 2.5307(5) 5
Cr1 Se1 2.5307(5) 77
