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#$Date: 2021-02-15 12:17:29 +0200 (Mon, 15 Feb 2021) $
#$Revision: 261961 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/03/1560379.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_1560379
loop_
_publ_author_name
'Yin, Wenlong'
'Iyer, Abishek K.'
'Li, Chao'
'Yao, Jiyong'
'Mar, Arthur'
_publ_section_title
;
 When one becomes two: Ba12In4Se20, not quite isostructural to Ba12In4S19
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              29
_journal_page_last               34
_journal_paper_doi               10.1016/j.jssc.2017.05.016
_journal_volume                  253
_journal_year                    2017
_chemical_formula_structural     'Ba12 In4 Se20'
_chemical_formula_sum            'Ba12 In4 Se20'
_chemical_formula_weight         3686.56
_chemical_name_common            'barium indium selenide (12/4/20)'
_chemical_name_systematic        'barium indium selenide (12/4/20)'
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   .
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.0360(6)
_cell_length_b                   10.0360(6)
_cell_length_c                   78.286(4)
_cell_measurement_reflns_used    3151
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.38
_cell_measurement_theta_min      4.12
_cell_volume                     6828.7(7)
_computing_cell_refinement       'Bruker SAINT 8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEX 2 (Bruker, 2008)'
_computing_data_reduction        'Bruker SAINT 8.34A'
_computing_molecular_graphics    'ATOMS 5.1 (Dowty, 1999)'
_computing_publication_material  SHELXL-2014/7
_computing_structure_refinement  SHELXL-2014/7
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker PLATFORM/SMART APEX II CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0942
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       117
_diffrn_reflns_limit_l_min       -117
_diffrn_reflns_number            32502
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.210
_diffrn_reflns_theta_min         1.561
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    28.162
_exptl_absorpt_correction_T_max  0.619
_exptl_absorpt_correction_T_min  0.219
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SHELXL-2014/7 (Sheldrick, 2014)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    5.379
_exptl_crystal_description       irregular
_exptl_crystal_F_000             9288
_exptl_crystal_size_max          0.085
_exptl_crystal_size_mid          0.034
_exptl_crystal_size_min          0.028
_refine_diff_density_max         4.085
_refine_diff_density_min         -2.835
_refine_diff_density_rms         0.542
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     116
_refine_ls_number_reflns         5800
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0422P)²+77.7285P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1036
_refine_ls_wR_factor_ref         0.1254
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3582
_reflns_number_total             5800
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            mmc4.cif
_cod_data_source_block           r-3
_cod_original_cell_volume        6828.7(9)
_cod_database_code               1560379
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.198
_shelx_estimated_absorpt_t_max   0.506
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Ba1 Ba 0.04858(6) 0.33001(6) 0.10442(2) 0.01782(12) Uani 1 1 d . . . . .
Ba2 Ba 0.05561(7) 0.32716(7) 0.02047(2) 0.02545(14) Uani 1 1 d . . . . .
Ba3 Ba 0.06051(6) 0.33868(6) 0.27000(2) 0.02022(13) Uani 1 1 d . . . . .
Ba4 Ba 0.06890(6) 0.34892(6) 0.18731(2) 0.01816(12) Uani 1 1 d . . . . .
In1 In 0.0000 0.0000 0.07208(2) 0.0181(2) Uani 1 3 d S T P . .
In2A In 0.0000 0.0000 0.15301(2) 0.0231(3) Uani 0.895(3) 3 d S T P . .
In2B In 0.0000 0.0000 0.14083(18) 0.0231(3) Uani 0.105(3) 3 d S T P . .
In3A In 0.0000 0.0000 0.22125(2) 0.0226(3) Uani 0.814(3) 3 d S T P . .
In3B In 0.0000 0.0000 0.23421(10) 0.0226(3) Uani 0.186(3) 3 d S T P . .
In4 In 0.0000 0.0000 0.30187(2) 0.0199(2) Uani 1 3 d S T P . .
Se1 Se 0.00026(11) 0.24820(11) 0.31113(2) 0.02065(19) Uani 1 1 d . . . . .
Se2 Se 0.00568(10) 0.25186(10) 0.14610(2) 0.01728(18) Uani 1 1 d . . . . .
Se3 Se 0.00781(10) 0.25252(10) 0.22835(2) 0.01658(17) Uani 1 1 d . . . . .
Se4 Se 0.01021(10) 0.25137(10) 0.06267(2) 0.01893(19) Uani 1 1 d . . . . .
Se5 Se 0.0000 0.0000 0.10491(2) 0.0177(3) Uani 1 3 d S T P . .
Se6 Se 0.0000 0.0000 0.18714(2) 0.0184(3) Uani 1 3 d S T P . .
Se7 Se 0.0000 0.0000 0.26893(2) 0.0180(3) Uani 1 3 d S T P . .
Se8 Se 0.0000 0.0000 0.34743(2) 0.0262(4) Uani 1 3 d S T P . .
Se9 Se 0.0000 0.0000 0.37767(2) 0.0239(3) Uani 1 3 d S T P . .
Se10 Se 0.0000 0.0000 0.42259(2) 0.0181(3) Uani 1 3 d S T P . .
Se11 Se 0.0000 0.0000 0.45381(2) 0.0182(3) Uani 1 3 d S T P . .
Se12 Se 0.0000 0.0000 0.5000 0.0186(4) Uani 1 6 d S T P . .
Se13 Se 0.0000 0.0000 0.0000 0.0230(7) Uani 0.872(6) 6 d S T P . .
Se14 Se 0.0000 0.0000 0.0255(4) 0.0230(7) Uani 0.064(3) 3 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
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 '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
Se5 Ba1 Se2 78.67(3) . .
Se5 Ba1 Se3 152.41(2) . 14_455
Se2 Ba1 Se3 96.31(2) . 14_455
Se5 Ba1 Se4 79.71(4) . .
Se2 Ba1 Se4 156.43(3) . .
Se3 Ba1 Se4 98.49(2) 14_455 .
Se5 Ba1 Se10 132.70(2) . 7_554
Se2 Ba1 Se10 121.75(3) . 7_554
Se3 Ba1 Se10 72.995(18) 14_455 7_554
Se4 Ba1 Se10 80.32(3) . 7_554
Se5 Ba1 Se11 131.63(2) . 7_554
Se2 Ba1 Se11 79.45(3) . 7_554
Se3 Ba1 Se11 72.548(18) 14_455 7_554
Se4 Ba1 Se11 122.57(3) . 7_554
Se10 Ba1 Se11 42.39(4) 7_554 7_554
Se5 Ba1 Se3 73.014(18) . 13_455
Se2 Ba1 Se3 81.36(2) . 13_455
Se3 Ba1 Se3 79.42(3) 14_455 13_455
Se4 Ba1 Se3 83.44(2) . 13_455
Se10 Ba1 Se3 145.31(3) 7_554 13_455
Se11 Ba1 Se3 143.78(3) 7_554 13_455
Se5 Ba1 Se3 69.332(17) . 15
Se2 Ba1 Se3 90.29(2) . 15
Se3 Ba1 Se3 138.19(3) 14_455 15
Se4 Ba1 Se3 90.82(2) . 15
Se10 Ba1 Se3 68.565(17) 7_554 15
Se11 Ba1 Se3 68.198(17) 7_554 15
Se3 Ba1 Se3 142.33(3) 13_455 15
Se5 Ba1 In3B 112.539(15) . 13_455
Se2 Ba1 In3B 95.45(11) . 13_455
Se3 Ba1 In3B 40.38(2) 14_455 13_455
Se4 Ba1 In3B 84.23(11) . 13_455
Se10 Ba1 In3B 107.51(5) 7_554 13_455
Se11 Ba1 In3B 112.07(4) 7_554 13_455
Se3 Ba1 In3B 40.10(2) 13_455 13_455
Se3 Ba1 In3B 174.21(11) 15 13_455
Se5 Ba1 In3A 112.191(16) . 13_455
Se2 Ba1 In3A 80.75(3) . 13_455
Se3 Ba1 In3A 40.494(16) 14_455 13_455
Se4 Ba1 In3A 98.93(3) . 13_455
Se10 Ba1 In3A 113.004(16) 7_554 13_455
Se11 Ba1 In3A 106.069(18) 7_554 13_455
Se3 Ba1 In3A 40.224(16) 13_455 13_455
Se3 Ba1 In3A 170.25(3) 15 13_455
In3B Ba1 In3A 15.02(11) 13_455 13_455
Se5 Ba1 In1 39.97(3) . .
Se2 Ba1 In1 118.48(2) . .
Se3 Ba1 In1 134.01(2) 14_455 .
Se4 Ba1 In1 39.90(2) . .
Se10 Ba1 In1 107.37(3) 7_554 .
Se11 Ba1 In1 138.80(2) 7_554 .
Se3 Ba1 In1 77.417(18) 13_455 .
Se3 Ba1 In1 74.602(17) 15 .
In3B Ba1 In1 103.18(8) 13_455 .
In3A Ba1 In1 113.05(2) 13_455 .
Se5 Ba1 Ba3 132.51(3) . 14_455
Se2 Ba1 Ba3 144.69(2) . 14_455
Se3 Ba1 Ba3 48.441(18) 14_455 14_455
Se4 Ba1 Ba3 53.512(19) . 14_455
Se10 Ba1 Ba3 53.87(2) 7_554 14_455
Se11 Ba1 Ba3 86.35(2) 7_554 14_455
Se3 Ba1 Ba3 91.99(2) 13_455 14_455
Se3 Ba1 Ba3 114.19(2) 15 14_455
In3B Ba1 Ba3 60.34(9) 13_455 14_455
In3A Ba1 Ba3 72.35(2) 13_455 14_455
In1 Ba1 Ba3 93.330(18) . 14_455
Se14 Ba2 Se8 139.38(5) . 7_554
Se14 Ba2 Se4 72.5(5) . .
Se8 Ba2 Se4 110.03(4) 7_554 .
Se14 Ba2 Se1 72.71(2) . 13_455
Se8 Ba2 Se1 147.64(3) 7_554 13_455
Se4 Ba2 Se1 79.81(3) . 13_455
Se14 Ba2 Se1 110.9(5) . 8_554
Se8 Ba2 Se1 69.47(4) 7_554 8_554
Se4 Ba2 Se1 175.47(3) . 8_554
Se1 Ba2 Se1 98.27(2) 13_455 8_554
Se14 Ba2 Se13 35.2(5) . .
Se8 Ba2 Se13 125.89(3) 7_554 .
Se4 Ba2 Se13 107.59(2) . .
Se1 Ba2 Se13 75.99(2) 13_455 .
Se1 Ba2 Se13 75.73(2) 8_554 .
Se14 Ba2 Se1 148.80(16) . 14_455
Se8 Ba2 Se1 71.39(2) 7_554 14_455
Se4 Ba2 Se1 93.92(3) . 14_455
Se1 Ba2 Se1 77.35(3) 13_455 14_455
Se1 Ba2 Se1 81.64(3) 8_554 14_455
Se13 Ba2 Se1 141.81(2) . 14_455
Se14 Ba2 Se1 69.92(2) . 15
Se8 Ba2 Se1 69.596(19) 7_554 15
Se4 Ba2 Se1 89.34(3) . 15
Se1 Ba2 Se1 142.62(3) 13_455 15
Se1 Ba2 Se1 94.61(2) 8_554 15
Se13 Ba2 Se1 73.471(19) . 15
Se1 Ba2 Se1 139.47(3) 14_455 15
Se14 Ba2 Se9 125.2(4) . 7_554
Se8 Ba2 Se9 39.74(4) 7_554 7_554
Se4 Ba2 Se9 70.33(3) . 7_554
Se1 Ba2 Se9 135.19(3) 13_455 7_554
Se1 Ba2 Se9 108.89(3) 8_554 7_554
Se13 Ba2 Se9 144.278(19) . 7_554
Se1 Ba2 Se9 72.356(19) 14_455 7_554
Se1 Ba2 Se9 70.863(19) 15 7_554
Se14 Ba2 In4 109.25(15) . 13_455
Se8 Ba2 In4 110.716(17) 7_554 13_455
Se4 Ba2 In4 76.78(2) . 13_455
Se1 Ba2 In4 39.705(17) 13_455 13_455
Se1 Ba2 In4 99.10(3) 8_554 13_455
Se13 Ba2 In4 114.731(17) . 13_455
Se1 Ba2 In4 39.564(17) 14_455 13_455
Se1 Ba2 In4 165.41(3) 15 13_455
Se9 Ba2 In4 99.762(18) 7_554 13_455
Se14 Ba2 Ba2 75.7(4) . 11
Se8 Ba2 Ba2 75.89(3) 7_554 11
Se4 Ba2 Ba2 134.82(2) . 11
Se1 Ba2 Ba2 119.79(2) 13_455 11
Se1 Ba2 Ba2 49.68(2) 8_554 11
Se13 Ba2 Ba2 50.020(6) . 11
Se1 Ba2 Ba2 128.50(2) 14_455 11
Se1 Ba2 Ba2 49.440(16) 15 11
Se9 Ba2 Ba2 104.91(2) 7_554 11
In4 Ba2 Ba2 145.13(2) 13_455 11
Se14 Ba2 Ba2 75.7(4) . 12
Se8 Ba2 Ba2 121.97(4) 7_554 12
Se4 Ba2 Ba2 126.65(2) . 12
Se1 Ba2 Ba2 50.067(17) 13_455 12
Se1 Ba2 Ba2 53.01(2) 8_554 12
Se13 Ba2 Ba2 50.020(6) . 12
Se1 Ba2 Ba2 91.81(2) 14_455 12
Se1 Ba2 Ba2 118.02(2) 15 12
Se9 Ba2 Ba2 158.48(3) 7_554 12
In4 Ba2 Ba2 74.784(18) 13_455 12
Ba2 Ba2 Ba2 73.211(19) 11 12
Se7 Ba3 Se1 79.61(4) . .
Se7 Ba3 Se4 148.47(3) . 14_455
Se1 Ba3 Se4 95.47(3) . 14_455
Se7 Ba3 Se3 76.95(3) . .
Se1 Ba3 Se3 153.01(3) . .
Se4 Ba3 Se3 97.51(2) 14_455 .
Se7 Ba3 Se9 133.37(3) . 16
Se1 Ba3 Se9 77.80(3) . 16
Se4 Ba3 Se9 74.225(19) 14_455 16
Se3 Ba3 Se9 128.59(3) . 16
Se7 Ba3 Se4 71.506(19) . 13_455
Se1 Ba3 Se4 78.56(3) . 13_455
Se4 Ba3 Se4 76.98(3) 14_455 13_455
Se3 Ba3 Se4 81.46(2) . 13_455
Se9 Ba3 Se4 140.43(3) 16 13_455
Se7 Ba3 Se4 70.342(18) . 15
Se1 Ba3 Se4 91.96(3) . 15
Se4 Ba3 Se4 141.19(3) 14_455 15
Se3 Ba3 Se4 92.60(2) . 15
Se9 Ba3 Se4 70.267(18) 16 15
Se4 Ba3 Se4 141.75(3) 13_455 15
Se7 Ba3 Se10 127.61(3) . 16
Se1 Ba3 Se10 137.32(3) . 16
Se4 Ba3 Se10 76.31(2) 14_455 16
Se3 Ba3 Se10 69.09(3) . 16
Se9 Ba3 Se10 59.59(3) 16 16
Se4 Ba3 Se10 136.73(3) 13_455 16
Se4 Ba3 Se10 72.604(18) 15 16
Se7 Ba3 In1 109.088(16) . 13_455
Se1 Ba3 In1 96.84(3) . 13_455
Se4 Ba3 In1 40.082(17) 14_455 13_455
Se3 Ba3 In1 78.56(2) . 13_455
Se9 Ba3 In1 113.692(16) 16 13_455
Se4 Ba3 In1 39.508(16) 13_455 13_455
Se4 Ba3 In1 170.94(3) 15 13_455
Se10 Ba3 In1 101.976(17) 16 13_455
Se7 Ba3 In4 40.01(3) . .
Se1 Ba3 In4 40.06(2) . .
Se4 Ba3 In4 131.10(2) 14_455 .
Se3 Ba3 In4 116.73(2) . .
Se9 Ba3 In4 104.84(3) 16 .
Se4 Ba3 In4 75.056(18) 13_455 .
Se4 Ba3 In4 74.175(18) 15 .
Se10 Ba3 In4 146.522(18) 16 .
In1 Ba3 In4 111.502(16) 13_455 .
Se7 Ba3 Ba1 79.73(2) . 15
Se1 Ba3 Ba1 138.91(2) . 15
Se4 Ba3 Ba1 119.86(2) 14_455 15
Se3 Ba3 Ba1 48.198(18) . 15
Se9 Ba3 Ba1 91.48(2) 16 15
Se4 Ba3 Ba1 126.63(2) 13_455 15
Se4 Ba3 Ba1 47.531(17) 15 15
Se10 Ba3 Ba1 47.888(15) 16 15
In1 Ba3 Ba1 123.45(2) 13_455 15
In4 Ba3 Ba1 109.024(17) . 15
Se7 Ba3 Ba1 129.63(3) . 14_455
Se1 Ba3 Ba1 143.17(2) . 14_455
Se4 Ba3 Ba1 47.719(18) 14_455 14_455
Se3 Ba3 Ba1 53.801(18) . 14_455
Se9 Ba3 Ba1 90.58(2) 16 14_455
Se4 Ba3 Ba1 89.699(19) 13_455 14_455
Se4 Ba3 Ba1 117.05(2) 15 14_455
Se10 Ba3 Ba1 47.394(15) 16 14_455
In1 Ba3 Ba1 55.902(15) 13_455 14_455
In4 Ba3 Ba1 163.677(18) . 14_455
Ba1 Ba3 Ba1 75.259(16) 15 14_455
Se6 Ba4 Se3 77.22(3) . .
Se6 Ba4 Se2 146.19(2) . 14_455
Se3 Ba4 Se2 97.02(2) . 14_455
Se6 Ba4 Se2 76.82(3) . .
Se3 Ba4 Se2 150.35(3) . .
Se2 Ba4 Se2 96.59(2) 14_455 .
Se6 Ba4 Se12 131.90(3) . 7_554
Se3 Ba4 Se12 133.04(2) . 7_554
Se2 Ba4 Se12 75.999(19) 14_455 7_554
Se2 Ba4 Se12 75.962(19) . 7_554
Se6 Ba4 Se11 129.39(3) . 16
Se3 Ba4 Se11 70.44(3) . 16
Se2 Ba4 Se11 76.907(19) 14_455 16
Se2 Ba4 Se11 138.58(3) . 16
Se12 Ba4 Se11 62.71(2) 7_554 16
Se6 Ba4 Se2 69.365(18) . 15
Se3 Ba4 Se2 91.98(2) . 15
Se2 Ba4 Se2 144.45(3) 14_455 15
Se2 Ba4 Se2 92.09(2) . 15
Se12 Ba4 Se2 72.822(18) 7_554 15
Se11 Ba4 Se2 73.914(18) 16 15
Se6 Ba4 Se2 69.067(17) . 13_455
Se3 Ba4 Se2 79.00(2) . 13_455
Se2 Ba4 Se2 77.12(3) 14_455 13_455
Se2 Ba4 Se2 78.55(3) . 13_455
Se12 Ba4 Se2 140.17(2) 7_554 13_455
Se11 Ba4 Se2 136.62(3) 16 13_455
Se2 Ba4 Se2 138.43(3) 15 13_455
Se6 Ba4 In2B 107.229(15) . 13_455
Se3 Ba4 In2B 81.6(2) . 13_455
Se2 Ba4 In2B 39.28(3) 14_455 13_455
Se2 Ba4 In2B 92.6(2) . 13_455
Se12 Ba4 In2B 112.91(10) 7_554 13_455
Se11 Ba4 In2B 105.32(13) 16 13_455
Se2 Ba4 In2B 173.35(18) 15 13_455
Se2 Ba4 In2B 38.62(3) 13_455 13_455
Se6 Ba4 In2A 107.095(14) . 13_455
Se3 Ba4 In2A 94.88(3) . 13_455
Se2 Ba4 In2A 39.531(17) 14_455 13_455
Se2 Ba4 In2A 79.37(3) . 13_455
Se12 Ba4 In2A 105.864(18) 7_554 13_455
Se11 Ba4 In2A 113.364(19) 16 13_455
Se2 Ba4 In2A 171.37(3) 15 13_455
Se2 Ba4 In2A 38.886(15) 13_455 13_455
In2B Ba4 In2A 13.7(2) 13_455 13_455
Se6 Ba4 Ba4 82.93(3) . 15
Se3 Ba4 Ba4 139.99(2) . 15
Se2 Ba4 Ba4 117.91(2) 14_455 15
Se2 Ba4 Ba4 48.94(2) . 15
Se12 Ba4 Ba4 49.458(6) 7_554 15
Se11 Ba4 Ba4 97.670(19) 16 15
Se2 Ba4 Ba4 48.293(15) 15 15
Se2 Ba4 Ba4 125.19(2) 13_455 15
In2B Ba4 Ba4 137.9(2) 13_455 15
In2A Ba4 Ba4 124.25(3) 13_455 15
Se6 Ba4 Ba4 129.22(3) . 14_455
Se3 Ba4 Ba4 146.00(2) . 14_455
Se2 Ba4 Ba4 48.983(16) 14_455 14_455
Se2 Ba4 Ba4 53.19(2) . 14_455
Se12 Ba4 Ba4 49.460(6) 7_554 14_455
Se11 Ba4 Ba4 97.671(19) 16 14_455
Se2 Ba4 Ba4 115.862(19) 15 14_455
Se2 Ba4 Ba4 90.72(2) 13_455 14_455
In2B Ba4 Ba4 70.77(17) 13_455 14_455
In2A Ba4 Ba4 59.75(2) 13_455 14_455
Ba4 Ba4 Ba4 71.559(17) 15 14_455
Se5 In1 Se4 106.58(3) . .
Se5 In1 Se4 106.58(3) . 2
Se4 In1 Se4 112.20(3) . 2
Se5 In1 Se4 106.58(3) . 3
Se4 In1 Se4 112.20(3) . 3
Se4 In1 Se4 112.20(3) 2 3
Se5 In1 Ba3 99.884(17) . 14_445
Se4 In1 Ba3 153.40(4) . 14_445
Se4 In1 Ba3 61.21(2) 2 14_445
Se4 In1 Ba3 55.98(2) 3 14_445
Se5 In1 Ba3 99.884(17) . 15
Se4 In1 Ba3 55.97(2) . 15
Se4 In1 Ba3 153.39(4) 2 15
Se4 In1 Ba3 61.22(2) 3 15
Ba3 In1 Ba3 117.118(10) 14_445 15
Se5 In1 Ba3 99.883(17) . 13_455
Se4 In1 Ba3 61.21(2) . 13_455
Se4 In1 Ba3 55.98(2) 2 13_455
Se4 In1 Ba3 153.39(4) 3 13_455
Ba3 In1 Ba3 117.117(10) 14_445 13_455
Ba3 In1 Ba3 117.116(10) 15 13_455
Se5 In1 Ba1 50.736(15) . 3
Se4 In1 Ba1 127.91(3) . 3
Se4 In1 Ba1 119.02(3) 2 3
Se4 In1 Ba1 56.11(2) 3 3
Ba3 In1 Ba1 68.511(12) 14_445 3
Ba3 In1 Ba1 80.169(13) 15 3
Ba3 In1 Ba1 149.65(3) 13_455 3
Se5 In1 Ba1 50.736(14) . 2
Se4 In1 Ba1 119.02(3) . 2
Se4 In1 Ba1 56.11(2) 2 2
Se4 In1 Ba1 127.91(3) 3 2
Ba3 In1 Ba1 80.169(13) 14_445 2
Ba3 In1 Ba1 149.65(3) 15 2
Ba3 In1 Ba1 68.511(12) 13_455 2
Ba1 In1 Ba1 84.21(2) 3 2
Se5 In1 Ba1 50.734(14) . .
Se4 In1 Ba1 56.11(2) . .
Se4 In1 Ba1 127.91(3) 2 .
Se4 In1 Ba1 119.02(3) 3 .
Ba3 In1 Ba1 149.65(3) 14_445 .
Ba3 In1 Ba1 68.511(12) 15 .
Ba3 In1 Ba1 80.170(13) 13_455 .
Ba1 In1 Ba1 84.21(2) 3 .
Ba1 In1 Ba1 84.21(2) 2 .
In2B In2A Se2 77.79(4) . 2
In2B In2A Se2 77.79(4) . 3
Se2 In2A Se2 115.65(3) 2 3
In2B In2A Se2 77.79(4) . .
Se2 In2A Se2 115.65(3) 2 .
Se2 In2A Se2 115.65(3) 3 .
In2B In2A Se6 180.0 . .
Se2 In2A Se6 102.21(4) 2 .
Se2 In2A Se6 102.21(4) 3 .
Se2 In2A Se6 102.21(4) . .
In2B In2A Ba4 82.14(2) . 14_445
Se2 In2A Ba4 62.15(2) 2 14_445
Se2 In2A Ba4 56.12(2) 3 14_445
Se2 In2A Ba4 159.69(6) . 14_445
Se6 In2A Ba4 97.86(2) . 14_445
In2B In2A Ba4 82.14(2) . 15
Se2 In2A Ba4 159.70(6) 2 15
Se2 In2A Ba4 62.15(2) 3 15
Se2 In2A Ba4 56.11(2) . 15
Se6 In2A Ba4 97.86(2) . 15
Ba4 In2A Ba4 118.162(11) 14_445 15
In2B In2A Ba4 82.14(2) . 13_455
Se2 In2A Ba4 56.12(2) 2 13_455
Se2 In2A Ba4 159.70(6) 3 13_455
Se2 In2A Ba4 62.15(2) . 13_455
Se6 In2A Ba4 97.86(2) . 13_455
Ba4 In2A Ba4 118.161(11) 14_445 13_455
Ba4 In2A Ba4 118.160(11) 15 13_455
In2A In2B Se2 80.6(3) . .
In2A In2B Se2 80.6(3) . 2
Se2 In2B Se2 117.40(18) . 2
In2A In2B Se2 80.6(3) . 3
Se2 In2B Se2 117.40(18) . 3
Se2 In2B Se2 117.40(18) 2 3
In2A In2B Se5 180.0 . .
Se2 In2B Se5 99.4(3) . .
Se2 In2B Se5 99.4(3) 2 .
Se2 In2B Se5 99.4(3) 3 .
In2A In2B Ba4 84.1(2) . 14_445
Se2 In2B Ba4 164.5(5) . 14_445
Se2 In2B Ba4 62.56(4) 2 14_445
Se2 In2B Ba4 56.46(4) 3 14_445
Se5 In2B Ba4 95.9(2) . 14_445
In2A In2B Ba4 84.1(2) . 15
Se2 In2B Ba4 56.46(4) . 15
Se2 In2B Ba4 164.4(5) 2 15
Se2 In2B Ba4 62.56(4) 3 15
Se5 In2B Ba4 95.9(2) . 15
Ba4 In2B Ba4 118.97(7) 14_445 15
In2A In2B Ba4 84.1(2) . 13_455
Se2 In2B Ba4 62.56(4) . 13_455
Se2 In2B Ba4 56.46(4) 2 13_455
Se2 In2B Ba4 164.4(5) 3 13_455
Se5 In2B Ba4 95.9(2) . 13_455
Ba4 In2B Ba4 118.97(7) 14_445 13_455
Ba4 In2B Ba4 118.97(7) 15 13_455
In3B In3A Se3 77.45(4) . .
In3B In3A Se3 77.44(4) . 2
Se3 In3A Se3 115.41(3) . 2
In3B In3A Se3 77.44(4) . 3
Se3 In3A Se3 115.41(3) . 3
Se3 In3A Se3 115.41(3) 2 3
In3B In3A Se6 180.0 . .
Se3 In3A Se6 102.55(4) . .
Se3 In3A Se6 102.56(4) 2 .
Se3 In3A Se6 102.56(4) 3 .
In3B In3A Ba1 81.13(3) . 15
Se3 In3A Ba1 57.85(2) . 15
Se3 In3A Ba1 158.55(6) 2 15
Se3 In3A Ba1 60.05(2) 3 15
Se6 In3A Ba1 98.87(2) . 15
In3B In3A Ba1 81.13(2) . 13_455
Se3 In3A Ba1 60.05(2) . 13_455
Se3 In3A Ba1 57.85(2) 2 13_455
Se3 In3A Ba1 158.55(6) 3 13_455
Se6 In3A Ba1 98.87(2) . 13_455
Ba1 In3A Ba1 117.668(13) 15 13_455
In3B In3A Ba1 81.13(2) . 14_445
Se3 In3A Ba1 158.55(6) . 14_445
Se3 In3A Ba1 60.05(2) 2 14_445
Se3 In3A Ba1 57.85(2) 3 14_445
Se6 In3A Ba1 98.87(2) . 14_445
Ba1 In3A Ba1 117.668(13) 15 14_445
Ba1 In3A Ba1 117.668(13) 13_455 14_445
In3A In3B Se3 79.58(17) . 2
In3A In3B Se3 79.58(17) . 3
Se3 In3B Se3 116.80(10) 2 3
In3A In3B Se3 79.58(17) . .
Se3 In3B Se3 116.80(10) 2 .
Se3 In3B Se3 116.80(10) 3 .
In3A In3B Se7 180.0 . .
Se3 In3B Se7 100.42(17) 2 .
Se3 In3B Se7 100.42(17) 3 .
Se3 In3B Se7 100.42(17) . .
In3A In3B Ba1 83.86(11) . 15
Se3 In3B Ba1 163.4(3) 2 15
Se3 In3B Ba1 60.56(3) 3 15
Se3 In3B Ba1 58.34(3) . 15
Se7 In3B Ba1 96.14(11) . 15
In3A In3B Ba1 83.86(11) . 14_445
Se3 In3B Ba1 60.56(3) 2 14_445
Se3 In3B Ba1 58.34(3) 3 14_445
Se3 In3B Ba1 163.4(3) . 14_445
Se7 In3B Ba1 96.14(11) . 14_445
Ba1 In3B Ba1 118.87(4) 15 14_445
In3A In3B Ba1 83.86(11) . 13_455
Se3 In3B Ba1 58.34(3) 2 13_455
Se3 In3B Ba1 163.4(3) 3 13_455
Se3 In3B Ba1 60.56(3) . 13_455
Se7 In3B Ba1 96.14(11) . 13_455
Ba1 In3B Ba1 118.87(4) 15 13_455
Ba1 In3B Ba1 118.87(4) 14_445 13_455
Se7 In4 Se1 106.23(3) . .
Se7 In4 Se1 106.23(3) . 3
Se1 In4 Se1 112.51(3) . 3
Se7 In4 Se1 106.23(3) . 2
Se1 In4 Se1 112.51(3) . 2
Se1 In4 Se1 112.51(3) 3 2
Se7 In4 Ba3 51.527(15) . .
Se1 In4 Ba3 55.43(2) . .
Se1 In4 Ba3 115.85(3) 3 .
Se1 In4 Ba3 130.76(3) 2 .
Se7 In4 Ba3 51.524(15) . 2
Se1 In4 Ba3 115.85(3) . 2
Se1 In4 Ba3 130.76(3) 3 2
Se1 In4 Ba3 55.44(2) 2 2
Ba3 In4 Ba3 85.38(2) . 2
Se7 In4 Ba3 51.524(15) . 3
Se1 In4 Ba3 130.76(3) . 3
Se1 In4 Ba3 55.44(2) 3 3
Se1 In4 Ba3 115.85(3) 2 3
Ba3 In4 Ba3 85.38(2) . 3
Ba3 In4 Ba3 85.37(2) 2 3
Se7 In4 Ba2 102.341(18) . 14_445
Se1 In4 Ba2 151.42(4) . 14_445
Se1 In4 Ba2 58.78(2) 3 14_445
Se1 In4 Ba2 57.38(2) 2 14_445
Ba3 In4 Ba2 152.70(3) . 14_445
Ba3 In4 Ba2 81.790(13) 2 14_445
Ba3 In4 Ba2 69.703(13) 3 14_445
Se7 In4 Ba2 102.341(18) . 15
Se1 In4 Ba2 58.78(2) . 15
Se1 In4 Ba2 57.38(2) 3 15
Se1 In4 Ba2 151.42(4) 2 15
Ba3 In4 Ba2 69.701(13) . 15
Ba3 In4 Ba2 152.70(3) 2 15
Ba3 In4 Ba2 81.790(13) 3 15
Ba2 In4 Ba2 115.562(12) 14_445 15
Se7 In4 Ba2 102.341(18) . 13_455
Se1 In4 Ba2 57.38(2) . 13_455
Se1 In4 Ba2 151.42(4) 3 13_455
Se1 In4 Ba2 58.78(2) 2 13_455
Ba3 In4 Ba2 81.788(13) . 13_455
Ba3 In4 Ba2 69.703(13) 2 13_455
Ba3 In4 Ba2 152.70(3) 3 13_455
Ba2 In4 Ba2 115.562(12) 14_445 13_455
Ba2 In4 Ba2 115.561(12) 15 13_455
In4 Se1 Ba3 84.51(3) . .
In4 Se1 Ba2 82.91(3) . 13_455
Ba3 Se1 Ba2 102.73(3) . 13_455
In4 Se1 Ba2 116.17(4) . 6_455
Ba3 Se1 Ba2 159.30(3) . 6_455
Ba2 Se1 Ba2 80.25(3) 13_455 6_455
In4 Se1 Ba2 81.66(3) . 15
Ba3 Se1 Ba2 84.96(3) . 15
Ba2 Se1 Ba2 162.00(3) 13_455 15
Ba2 Se1 Ba2 98.36(3) 6_455 15
In4 Se1 Ba2 165.90(4) . 14_455
Ba3 Se1 Ba2 81.76(2) . 14_455
Ba2 Se1 Ba2 97.02(3) 13_455 14_455
Ba2 Se1 Ba2 77.55(2) 6_455 14_455
Ba2 Se1 Ba2 100.20(3) 15 14_455
In2B Se2 In2A 21.6(3) . .
In2B Se2 Ba1 90.6(3) . .
In2A Se2 Ba1 112.09(5) . .
In2B Se2 Ba4 84.26(3) . 15
In2A Se2 Ba4 84.35(3) . 15
Ba1 Se2 Ba4 84.71(2) . 15
In2B Se2 Ba4 110.8(3) . .
In2A Se2 Ba4 89.48(4) . .
Ba1 Se2 Ba4 153.40(3) . .
Ba4 Se2 Ba4 82.07(2) 15 .
In2B Se2 Ba4 170.5(3) . 14_455
In2A Se2 Ba4 167.88(5) . 14_455
Ba1 Se2 Ba4 79.93(2) . 14_455
Ba4 Se2 Ba4 95.55(3) 15 14_455
Ba4 Se2 Ba4 78.51(2) . 14_455
In2B Se2 Ba4 78.82(3) . 13_455
In2A Se2 Ba4 78.96(2) . 13_455
Ba1 Se2 Ba4 97.97(3) . 13_455
Ba4 Se2 Ba4 162.88(3) 15 13_455
Ba4 Se2 Ba4 101.44(3) . 13_455
Ba4 Se2 Ba4 101.57(3) 14_455 13_455
In3B Se3 In3A 22.98(16) . .
In3B Se3 Ba4 112.01(17) . .
In3A Se3 Ba4 89.32(4) . .
In3B Se3 Ba1 81.28(2) . 15
In3A Se3 Ba1 81.65(2) . 15
Ba4 Se3 Ba1 83.76(2) . 15
In3B Se3 Ba3 90.21(17) . .
In3A Se3 Ba3 112.98(5) . .
Ba4 Se3 Ba3 152.18(3) . .
Ba1 Se3 Ba3 83.35(2) 15 .
In3B Se3 Ba1 79.34(2) . 13_455
In3A Se3 Ba1 79.72(2) . 13_455
Ba4 Se3 Ba1 101.65(3) . 13_455
Ba1 Se3 Ba1 160.51(3) 15 13_455
Ba3 Se3 Ba1 98.68(3) . 13_455
In3B Se3 Ba1 168.47(16) . 14_455
In3A Se3 Ba1 167.76(5) . 14_455
Ba4 Se3 Ba1 79.46(2) . 14_455
Ba1 Se3 Ba1 101.78(3) 15 14_455
Ba3 Se3 Ba1 79.19(2) . 14_455
Ba1 Se3 Ba1 97.63(3) 13_455 14_455
In1 Se4 Ba3 83.94(3) . 15
In1 Se4 Ba1 83.99(3) . .
Ba3 Se4 Ba1 84.89(2) 15 .
In1 Se4 Ba2 115.80(4) . .
Ba3 Se4 Ba2 85.52(3) 15 .
Ba1 Se4 Ba2 156.89(3) . .
In1 Se4 Ba3 79.28(2) . 13_455
Ba3 Se4 Ba3 162.92(3) 15 13_455
Ba1 Se4 Ba3 96.42(3) . 13_455
Ba2 Se4 Ba3 98.89(3) . 13_455
In1 Se4 Ba3 162.39(4) . 14_455
Ba3 Se4 Ba3 98.76(3) 15 14_455
Ba1 Se4 Ba3 78.95(2) . 14_455
Ba2 Se4 Ba3 81.80(2) . 14_455
Ba3 Se4 Ba3 98.20(3) 13_455 14_455
In1 Se5 In2B 180.0 . .
In1 Se5 Ba1 89.29(3) . .
In2B Se5 Ba1 90.71(3) . .
In1 Se5 Ba1 89.29(3) . 2
In2B Se5 Ba1 90.71(3) . 2
Ba1 Se5 Ba1 119.985(2) . 2
In1 Se5 Ba1 89.29(3) . 3
In2B Se5 Ba1 90.71(3) . 3
Ba1 Se5 Ba1 119.985(2) . 3
Ba1 Se5 Ba1 119.985(2) 2 3
In3A Se6 In2A 180.0 . .
In3A Se6 Ba4 89.76(3) . .
In2A Se6 Ba4 90.24(3) . .
In3A Se6 Ba4 89.77(3) . 2
In2A Se6 Ba4 90.23(3) . 2
Ba4 Se6 Ba4 119.998(1) . 2
In3A Se6 Ba4 89.77(3) . 3
In2A Se6 Ba4 90.23(3) . 3
Ba4 Se6 Ba4 119.999(1) . 3
Ba4 Se6 Ba4 119.998(1) 2 3
In4 Se7 In3B 180.0 . .
In4 Se7 Ba3 88.46(3) . .
In3B Se7 Ba3 91.54(3) . .
In4 Se7 Ba3 88.47(3) . 2
In3B Se7 Ba3 91.53(3) . 2
Ba3 Se7 Ba3 119.929(3) . 2
In4 Se7 Ba3 88.47(3) . 3
In3B Se7 Ba3 91.53(3) . 3
Ba3 Se7 Ba3 119.929(3) . 3
Ba3 Se7 Ba3 119.929(3) 2 3
Se9 Se8 Ba2 80.98(3) . 5
Se9 Se8 Ba2 80.98(3) . 4_445
Ba2 Se8 Ba2 117.590(17) 5 4_445
Se9 Se8 Ba2 80.98(3) . 6_455
Ba2 Se8 Ba2 117.589(17) 5 6_455
Ba2 Se8 Ba2 117.588(17) 4_445 6_455
Se8 Se9 Ba3 115.98(3) . 17_445
Se8 Se9 Ba3 115.98(3) . 16
Ba3 Se9 Ba3 102.26(3) 17_445 16
Se8 Se9 Ba3 115.97(3) . 18_545
Ba3 Se9 Ba3 102.25(3) 17_445 18_545
Ba3 Se9 Ba3 102.25(3) 16 18_545
Se8 Se9 Ba2 59.28(2) . 5
Ba3 Se9 Ba2 175.20(5) 17_445 5
Ba3 Se9 Ba2 80.100(14) 16 5
Ba3 Se9 Ba2 81.183(14) 18_545 5
Se8 Se9 Ba2 59.28(2) . 4_445
Ba3 Se9 Ba2 81.182(14) 17_445 4_445
Ba3 Se9 Ba2 175.20(5) 16 4_445
Ba3 Se9 Ba2 80.102(14) 18_545 4_445
Ba2 Se9 Ba2 96.23(3) 5 4_445
Se8 Se9 Ba2 59.28(2) . 6_455
Ba3 Se9 Ba2 80.101(14) 17_445 6_455
Ba3 Se9 Ba2 81.184(14) 16 6_455
Ba3 Se9 Ba2 175.20(5) 18_545 6_455
Ba2 Se9 Ba2 96.23(3) 5 6_455
Ba2 Se9 Ba2 96.23(3) 4_445 6_455
Se11 Se10 Ba1 69.36(3) . 5
Se11 Se10 Ba1 69.36(3) . 4_445
Ba1 Se10 Ba1 108.27(3) 5 4_445
Se11 Se10 Ba1 69.36(3) . 6_455
Ba1 Se10 Ba1 108.27(3) 5 6_455
Ba1 Se10 Ba1 108.27(3) 4_445 6_455
Se11 Se10 Ba3 123.62(2) . 17_445
Ba1 Se10 Ba3 167.01(5) 5 17_445
Ba1 Se10 Ba3 78.233(14) 4_445 17_445
Ba1 Se10 Ba3 79.341(14) 6_455 17_445
Se11 Se10 Ba3 123.62(2) . 16
Ba1 Se10 Ba3 79.341(14) 5 16
Ba1 Se10 Ba3 167.01(5) 4_445 16
Ba1 Se10 Ba3 78.235(14) 6_455 16
Ba3 Se10 Ba3 92.31(3) 17_445 16
Se11 Se10 Ba3 123.61(2) . 18_545
Ba1 Se10 Ba3 78.235(14) 5 18_545
Ba1 Se10 Ba3 79.343(14) 4_445 18_545
Ba1 Se10 Ba3 167.01(5) 6_455 18_545
Ba3 Se10 Ba3 92.31(3) 17_445 18_545
Ba3 Se10 Ba3 92.31(3) 16 18_545
Se10 Se11 Ba1 68.24(3) . 5
Se10 Se11 Ba1 68.25(3) . 4_445
Ba1 Se11 Ba1 107.10(3) 5 4_445
Se10 Se11 Ba1 68.25(3) . 6_455
Ba1 Se11 Ba1 107.09(3) 5 6_455
Ba1 Se11 Ba1 107.09(3) 4_445 6_455
Se10 Se11 Ba4 124.06(2) . 17_445
Ba1 Se11 Ba4 167.68(5) 5 17_445
Ba1 Se11 Ba4 79.268(14) 4_445 17_445
Ba1 Se11 Ba4 80.326(14) 6_455 17_445
Se10 Se11 Ba4 124.06(2) . 16
Ba1 Se11 Ba4 80.325(14) 5 16
Ba1 Se11 Ba4 167.68(5) 4_445 16
Ba1 Se11 Ba4 79.270(14) 6_455 16
Ba4 Se11 Ba4 91.69(3) 17_445 16
Se10 Se11 Ba4 124.06(2) . 18_545
Ba1 Se11 Ba4 79.270(13) 5 18_545
Ba1 Se11 Ba4 80.327(14) 4_445 18_545
Ba1 Se11 Ba4 167.68(5) 6_455 18_545
Ba4 Se11 Ba4 91.69(3) 17_445 18_545
Ba4 Se11 Ba4 91.69(3) 16 18_545
Ba4 Se12 Ba4 180.000(15) 17_445 5
Ba4 Se12 Ba4 81.076(12) 17_445 4_445
Ba4 Se12 Ba4 98.924(12) 5 4_445
Ba4 Se12 Ba4 98.924(12) 17_445 16
Ba4 Se12 Ba4 81.076(12) 5 16
Ba4 Se12 Ba4 180.000(15) 4_445 16
Ba4 Se12 Ba4 98.923(12) 17_445 18_545
Ba4 Se12 Ba4 81.077(12) 5 18_545
Ba4 Se12 Ba4 81.077(12) 4_445 18_545
Ba4 Se12 Ba4 98.923(12) 16 18_545
Ba4 Se12 Ba4 81.077(12) 17_445 6_455
Ba4 Se12 Ba4 98.923(12) 5 6_455
Ba4 Se12 Ba4 98.923(12) 4_445 6_455
Ba4 Se12 Ba4 81.077(12) 16 6_455
Ba4 Se12 Ba4 180.000(15) 18_545 6_455
Se14 Se13 Se14 180.0 10 .
Se14 Se13 Ba2 62.229(10) 10 10
Se14 Se13 Ba2 117.771(10) . 10
Se14 Se13 Ba2 62.229(10) 10 12
Se14 Se13 Ba2 117.771(10) . 12
Ba2 Se13 Ba2 100.041(12) 10 12
Se14 Se13 Ba2 117.771(10) 10 3
Se14 Se13 Ba2 62.229(10) . 3
Ba2 Se13 Ba2 79.959(12) 10 3
Ba2 Se13 Ba2 180.00(3) 12 3
Se14 Se13 Ba2 117.771(10) 10 2
Se14 Se13 Ba2 62.229(10) . 2
Ba2 Se13 Ba2 79.959(13) 10 2
Ba2 Se13 Ba2 79.959(13) 12 2
Ba2 Se13 Ba2 100.041(12) 3 2
Se14 Se13 Ba2 62.229(10) 10 11
Se14 Se13 Ba2 117.771(10) . 11
Ba2 Se13 Ba2 100.041(12) 10 11
Ba2 Se13 Ba2 100.041(12) 12 11
Ba2 Se13 Ba2 79.959(13) 3 11
Ba2 Se13 Ba2 180.00(4) 2 11
Se14 Se13 Ba2 117.772(10) 10 .
Se14 Se13 Ba2 62.228(10) . .
Ba2 Se13 Ba2 179.999(17) 10 .
Ba2 Se13 Ba2 79.960(13) 12 .
Ba2 Se13 Ba2 100.040(13) 3 .
Ba2 Se13 Ba2 100.041(13) 2 .
Ba2 Se13 Ba2 79.959(13) 11 .
Se13 Se14 Ba2 82.6(5) . 2
Se13 Se14 Ba2 82.6(5) . .
Ba2 Se14 Ba2 118.4(2) 2 .
Se13 Se14 Ba2 82.6(5) . 3
Ba2 Se14 Ba2 118.4(2) 2 3
Ba2 Se14 Ba2 118.4(2) . 3
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 Se5 3.0973(5) .
Ba1 Se2 3.3333(10) .
Ba1 Se3 3.3343(10) 14_455
Ba1 Se4 3.3391(10) .
Ba1 Se10 3.3669(8) 7_554
Ba1 Se11 3.3922(8) 7_554
Ba1 Se3 3.4312(10) 13_455
Ba1 Se3 3.6929(10) 15
Ba1 In3B 3.8720(10) 13_455
Ba1 In3A 3.8963(6) 13_455
Ba1 In1 4.0003(9) .
Ba1 Ba3 4.4427(8) 14_455
Ba2 Se14 3.069(4) .
Ba2 Se8 3.1828(7) 7_554
Ba2 Se4 3.3696(11) .
Ba2 Se1 3.4187(11) 13_455
Ba2 Se1 3.4385(11) 8_554
Ba2 Se13 3.4392(6) .
Ba2 Se1 3.4813(12) 14_455
Ba2 Se1 3.6151(11) 15
Ba2 Se9 3.6568(11) 7_554
Ba2 In4 4.0278(7) 13_455
Ba2 Ba2 4.4194(10) 11
Ba2 Ba2 4.4195(10) 12
Ba3 Se7 3.1408(6) .
Ba3 Se1 3.3176(11) .
Ba3 Se4 3.3215(11) 14_455
Ba3 Se3 3.3472(10) .
Ba3 Se9 3.3956(9) 16
Ba3 Se4 3.5549(11) 13_455
Ba3 Se4 3.6392(11) 15
Ba3 Se10 3.6660(10) 16
Ba3 In1 3.9853(6) 13_455
Ba3 In4 4.0104(9) .
Ba3 Ba1 4.4428(8) 15
Ba3 Ba1 4.4951(8) 14_455
Ba4 Se6 3.2124(6) .
Ba4 Se3 3.3224(10) .
Ba4 Se2 3.3356(10) 14_455
Ba4 Se2 3.3381(10) .
Ba4 Se12 3.3708(5) 7_554
Ba4 Se11 3.5703(10) 16
Ba4 Se2 3.5792(10) 15
Ba4 Se2 3.6021(11) 13_455
Ba4 In2B 3.9817(16) 13_455
Ba4 In2A 3.9985(6) 13_455
Ba4 Ba4 4.3813(9) 15
Ba4 Ba4 4.3813(9) 14_455
In1 Se5 2.5701(19) .
In1 Se4 2.5805(10) .
In1 Se4 2.5805(10) 2
In1 Se4 2.5805(10) 3
In1 Ba3 3.9852(6) 14_445
In1 Ba3 3.9853(6) 15
In1 Ba3 3.9853(6) 13_455
In1 Ba1 4.0003(9) 3
In1 Ba1 4.0003(9) 2
In2A In2B 0.954(14) .
In2A Se2 2.5575(10) 2
In2A Se2 2.5575(9) 3
In2A Se2 2.5575(9) .
In2A Se6 2.672(2) .
In2A Ba4 3.9984(6) 14_445
In2A Ba4 3.9985(6) 15
In2A Ba4 3.9985(6) 13_455
In2B Se2 2.533(3) .
In2B Se2 2.534(3) 2
In2B Se2 2.534(3) 3
In2B Se5 2.812(14) .
In2B Ba4 3.9817(16) 14_445
In2B Ba4 3.9818(16) 15
In2B Ba4 3.9818(16) 13_455
In3A In3B 1.015(7) .
In3A Se3 2.5571(9) .
In3A Se3 2.5571(10) 2
In3A Se3 2.5571(9) 3
In3A Se6 2.670(2) .
In3A Ba1 3.8962(6) 15
In3A Ba1 3.8962(6) 13_455
In3A Ba1 3.8962(6) 14_445
In3B Se3 2.5379(17) 2
In3B Se3 2.5379(16) 3
In3B Se3 2.5379(16) .
In3B Se7 2.718(8) .
In3B Ba1 3.8719(10) 15
In3B Ba1 3.8719(10) 14_445
In3B Ba1 3.8719(10) 13_455
In4 Se7 2.579(2) .
In4 Se1 2.5929(10) .
In4 Se1 2.5929(10) 3
In4 Se1 2.5929(10) 2
In4 Ba3 4.0105(9) 2
In4 Ba3 4.0105(9) 3
In4 Ba2 4.0277(7) 14_445
In4 Ba2 4.0278(7) 15
In4 Ba2 4.0278(7) 13_455
Se1 Ba2 3.4187(12) 13_455
Se1 Ba2 3.4386(11) 6_455
Se1 Ba2 3.4812(12) 15
Se1 Ba2 3.6151(11) 14_455
Se2 Ba4 3.3355(10) 15
Se2 Ba4 3.5793(10) 14_455
Se2 Ba4 3.6022(11) 13_455
Se3 Ba1 3.3342(10) 15
Se3 Ba1 3.4312(10) 13_455
Se3 Ba1 3.6929(10) 14_455
Se4 Ba3 3.3215(11) 15
Se4 Ba3 3.5549(11) 13_455
Se4 Ba3 3.6393(11) 14_455
Se5 Ba1 3.0974(6) 2
Se5 Ba1 3.0974(5) 3
Se6 Ba4 3.2124(6) 2
Se6 Ba4 3.2124(6) 3
Se7 Ba3 3.1408(6) 2
Se7 Ba3 3.1408(6) 3
Se8 Se9 2.367(2) .
Se8 Ba2 3.1828(7) 5
Se8 Ba2 3.1828(7) 4_445
Se8 Ba2 3.1829(7) 6_455
Se9 Ba3 3.3957(9) 17_445
Se9 Ba3 3.3957(10) 16
Se9 Ba3 3.3958(9) 18_545
Se9 Ba2 3.6567(11) 5
Se9 Ba2 3.6567(11) 4_445
Se9 Ba2 3.6568(11) 6_455
Se10 Se11 2.444(2) .
Se10 Ba1 3.3669(8) 5
Se10 Ba1 3.3669(8) 4_445
Se10 Ba1 3.3670(8) 6_455
Se10 Ba3 3.6657(10) 17_445
Se10 Ba3 3.6657(10) 16
Se10 Ba3 3.6657(10) 18_545
Se11 Ba1 3.3923(8) 5
Se11 Ba1 3.3923(8) 4_445
Se11 Ba1 3.3924(8) 6_455
Se11 Ba4 3.5703(10) 17_445
Se11 Ba4 3.5703(10) 16
Se11 Ba4 3.5704(10) 18_545
Se12 Ba4 3.3706(6) 17_445
Se12 Ba4 3.3706(6) 5
Se12 Ba4 3.3706(6) 4_445
Se12 Ba4 3.3706(6) 16
Se12 Ba4 3.3707(6) 18_545
Se12 Ba4 3.3707(5) 6_455
Se13 Se14 2.00(3) 10
Se13 Se14 2.00(3) .
Se13 Ba2 3.4392(6) 10
Se13 Ba2 3.4392(6) 12
Se13 Ba2 3.4392(6) 3
Se13 Ba2 3.4392(6) 2
Se13 Ba2 3.4392(6) 11
Se14 Ba2 3.069(4) 2
Se14 Ba2 3.069(4) 3
