#------------------------------------------------------------------------------
#$Date: 2019-10-08 09:55:44 +0200 (mar 08 de oct de 2019) $
#$Revision: 219159 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/44/7234467.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_7234467
loop_
_publ_author_name
'Jian Wang'
'Kathleen Lee'
'Kirill Kovnir'
_publ_section_title
;
 Synthesis, crystal structure, and thermoelectric properties of two new
 barium antimony selenides: Ba2Sb2Se5 and Ba6Sb7Se16.11
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              9811
_journal_page_last               9818
_journal_paper_doi               10.1039/C5TC01721A
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'Ba6 Sb7 Se16.11'
_chemical_formula_weight         2948.73
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n n m'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4691(15)
_cell_length_b                   62.421(7)
_cell_length_c                   4.6305(5)
_cell_measurement_temperature    90(2)
_cell_volume                     3604.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0888
_diffrn_reflns_av_sigmaI/netI    0.0387
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       72
_diffrn_reflns_limit_k_min       -72
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            34958
_diffrn_reflns_theta_full        24.25
_diffrn_reflns_theta_max         24.25
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    27.863
_exptl_absorpt_correction_T_max  0.6057
_exptl_absorpt_correction_T_min  0.1671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS	v2.03	(Bruker	2003)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.434
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4964
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.903
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.279
_refine_ls_extinction_coef       0.000030(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3330
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+98.0820P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0606
_refine_ls_wR_factor_ref         0.0655
_reflns_number_gt                2690
_reflns_number_total             3330
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2015-3-9811.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      Pnnm
_cod_database_code               7234467
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x-1/2, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ba1 Ba 0.03326(7) 0.463518(15) 0.0000 0.0105(2) Uani 1 2 d S . .
Ba21 Ba 0.05016(10) 0.71450(3) 0.0000 0.0273(4) Uani 0.967(4) 2 d SP . .
Ba22 Ba 0.049(3) 0.7281(9) 0.0000 0.0273(4) Uani 0.033(4) 2 d SP . .
Ba3 Ba 0.09204(8) 0.357425(15) 0.0000 0.0153(2) Uani 1 2 d S . .
Ba4 Ba 0.19189(7) 0.592859(15) 0.0000 0.0110(2) Uani 1 2 d S . .
Ba5 Ba 0.39298(7) 0.471257(15) 0.0000 0.0118(2) Uani 1 2 d S . .
Ba6 Ba 0.48048(8) 0.364357(17) 0.0000 0.0173(2) Uani 1 2 d S . .
Sb1 Sb 0.32755(12) 0.15850(2) 0.0544(7) 0.0219(9) Uani 0.50 1 d P . .
Sb2 Sb 0.01919(9) 0.074387(18) 0.0000 0.0160(3) Uani 1 2 d S . .
Sb3 Sb 0.71522(8) 0.084696(16) 0.0000 0.0119(2) Uani 1 2 d S . .
Sb41 Sb 0.2558(2) 0.26079(4) 0.0000 0.022(2) Uani 0.556(10) 2 d SP . .
Sb42 Sb 0.2541(4) 0.26097(7) -0.1196(16) 0.022(2) Uani 0.222(5) 1 d P . .
Sb51 Sb 0.22768(12) 0.02963(2) 0.0000 0.0125(3) Uani 0.768(2) 2 d SP . .
Sb52 Sb 0.2894(4) 0.02163(8) 0.0000 0.0125(3) Uani 0.232(2) 2 d SP . .
Sb61 Sb 0.31505(15) 0.32138(4) 0.4411(6) 0.0235(10) Uani 0.484(3) 1 d P . .
Sb62 Sb 0.339(4) 0.3314(11) -0.5000 0.0235(10) Uani 0.033(6) 2 d SP . .
Sb71 Sb 0.56876(10) 0.28947(2) 0.0000 0.0179(4) Uani 0.901(3) 2 d SP . .
Sb72 Sb 0.5570(10) 0.2759(3) 0.0000 0.0179(4) Uani 0.099(3) 2 d SP . .
Se1 Se 0.08591(15) 0.41091(3) 0.0562(6) 0.0089(9) Uani 0.50 1 d P . .
Se2 Se 0.12442(17) 0.05441(3) 0.4150(4) 0.0118(6) Uani 0.50 1 d P . .
Se3 Se 0.30881(17) 0.00753(3) 0.4226(4) 0.0142(7) Uani 0.50 1 d P . .
Se4 Se 0.37817(16) 0.41421(3) 0.0929(4) 0.0116(5) Uani 0.50 1 d P . .
Se5 Se 0.4081(2) 0.26645(4) 0.4404(8) 0.0298(12) Uani 0.50 1 d P . .
Se6 Se 0.01904(14) 0.17356(3) 0.0000 0.0225(4) Uani 1 2 d S . .
Se7 Se 0.12576(12) 0.10941(3) 0.0000 0.0125(4) Uani 1 2 d S . .
Se8 Se 0.25894(14) 0.21940(3) 0.0000 0.0240(4) Uani 1 2 d S . .
Se9 Se 0.38386(12) 0.05842(2) 0.0000 0.0113(3) Uani 1 2 d S . .
Se10 Se 0.42595(14) 0.12261(3) 0.0000 0.0182(4) Uani 1 2 d S . .
Se11 Se 0.50698(14) 0.17846(3) 0.0000 0.0196(4) Uani 1 2 d S . .
Se12 Se 0.1051(2) 0.26255(4) -0.4462(10) 0.0285(13) Uani 0.50 1 d P . .
Se13 Se 0.71901(12) 0.04352(2) 0.0000 0.0106(3) Uani 1 2 d S . .
Se14 Se 0.78228(13) 0.13721(3) 0.0000 0.0185(4) Uani 1 2 d S . .
Se15 Se 0.0000 0.0000 0.0000 0.0223(6) Uani 1 4 d S . .
Se16 Se 0.0249(5) 0.5015(2) -0.5000 0.014(2) Uani 0.25 2 d SP . .
Se17 Se 0.2584(3) 0.31253(5) 0.0655(8) 0.0286(19) Uani 0.353(5) 1 d P . .
Se18 Se 0.2497(3) 0.16373(6) 0.4354(8) 0.0220(19) Uani 0.330(4) 1 d 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'
Sb Sb -0.5866 1.5461 '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
Se16 Ba1 Se16 90.3(4) 5_565 5_564
Se16 Ba1 Se9 130.95(12) 5_565 7_565
Se16 Ba1 Se9 69.63(17) 5_564 7_565
Se16 Ba1 Se9 69.63(17) 5_565 7_566
Se16 Ba1 Se9 130.95(12) 5_564 7_566
Se9 Ba1 Se9 90.07(5) 7_565 7_566
Se16 Ba1 Se13 75.40(14) 5_565 7_566
Se16 Ba1 Se13 137.86(14) 5_564 7_566
Se9 Ba1 Se13 147.06(5) 7_565 7_566
Se9 Ba1 Se13 81.24(3) 7_566 7_566
Se16 Ba1 Se13 137.86(14) 5_565 7_565
Se16 Ba1 Se13 75.40(14) 5_564 7_565
Se9 Ba1 Se13 81.24(3) 7_565 7_565
Se9 Ba1 Se13 147.06(5) 7_566 7_565
Se13 Ba1 Se13 88.97(5) 7_566 7_565
Se16 Ba1 Se16 90.57(3) 5_565 .
Se16 Ba1 Se16 11.3(2) 5_564 .
Se9 Ba1 Se16 77.71(14) 7_565 .
Se9 Ba1 Se16 140.86(14) 7_566 .
Se13 Ba1 Se16 127.34(12) 7_566 .
Se13 Ba1 Se16 68.13(16) 7_565 .
Se16 Ba1 Se16 11.3(2) 5_565 1_556
Se16 Ba1 Se16 90.57(3) 5_564 1_556
Se9 Ba1 Se16 140.86(14) 7_565 1_556
Se9 Ba1 Se16 77.71(14) 7_566 1_556
Se13 Ba1 Se16 68.13(16) 7_566 1_556
Se13 Ba1 Se16 127.34(12) 7_565 1_556
Se16 Ba1 Se16 88.6(4) . 1_556
Se16 Ba1 Se3 61.92(14) 5_565 7_565
Se16 Ba1 Se3 51.51(13) 5_564 7_565
Se9 Ba1 Se3 71.01(5) 7_565 7_565
Se9 Ba1 Se3 79.98(5) 7_566 7_565
Se13 Ba1 Se3 137.06(4) 7_566 7_565
Se13 Ba1 Se3 125.61(4) 7_565 7_565
Se16 Ba1 Se3 60.88(14) . 7_565
Se16 Ba1 Se3 70.30(15) 1_556 7_565
Se16 Ba1 Se3 51.51(13) 5_565 4_455
Se16 Ba1 Se3 61.92(14) 5_564 4_455
Se9 Ba1 Se3 79.98(5) 7_565 4_455
Se9 Ba1 Se3 71.01(5) 7_566 4_455
Se13 Ba1 Se3 125.61(4) 7_566 4_455
Se13 Ba1 Se3 137.06(4) 7_565 4_455
Se16 Ba1 Se3 70.30(15) . 4_455
Se16 Ba1 Se3 60.89(14) 1_556 4_455
Se3 Ba1 Se3 12.28(7) 7_565 4_455
Se16 Ba1 Se1 138.82(19) 5_565 6
Se16 Ba1 Se1 130.00(19) 5_564 6
Se9 Ba1 Se1 69.34(5) 7_565 6
Se9 Ba1 Se1 75.93(5) 7_566 6
Se13 Ba1 Se1 77.72(5) 7_566 6
Se13 Ba1 Se1 71.26(5) 7_565 6
Se16 Ba1 Se1 130.61(19) . 6
Se16 Ba1 Se1 139.39(19) 1_556 6
Se3 Ba1 Se1 133.03(6) 7_565 6
Se3 Ba1 Se1 134.34(6) 4_455 6
Se16 Ba1 Se1 130.00(19) 5_565 .
Se16 Ba1 Se1 138.82(19) 5_564 .
Se9 Ba1 Se1 75.93(5) 7_565 .
Se9 Ba1 Se1 69.34(5) 7_566 .
Se13 Ba1 Se1 71.26(5) 7_566 .
Se13 Ba1 Se1 77.72(5) 7_565 .
Se16 Ba1 Se1 139.39(19) . .
Se16 Ba1 Se1 130.61(19) 1_556 .
Se3 Ba1 Se1 134.34(6) 7_565 .
Se3 Ba1 Se1 133.03(6) 4_455 .
Se1 Ba1 Se1 8.89(10) 6 .
Ba22 Ba21 Se12 62.3(18) . 2_565
Ba22 Ba21 Se12 62.3(18) . 5_565
Se12 Ba21 Se12 81.25(15) 2_565 5_565
Ba22 Ba21 Se5 11(2) . 3
Se12 Ba21 Se5 72.94(8) 2_565 3
Se12 Ba21 Se5 66.27(8) 5_565 3
Ba22 Ba21 Se5 11(2) . 8_665
Se12 Ba21 Se5 66.27(8) 2_565 8_665
Se12 Ba21 Se5 72.94(8) 5_565 8_665
Se5 Ba21 Se5 9.60(13) 3 8_665
Ba22 Ba21 Se11 132.5(8) . 3_554
Se12 Ba21 Se11 73.72(7) 2_565 3_554
Se12 Ba21 Se11 129.18(7) 5_565 3_554
Se5 Ba21 Se11 139.66(7) 3 3_554
Se5 Ba21 Se11 130.16(7) 8_665 3_554
Ba22 Ba21 Se11 132.5(8) . 3
Se12 Ba21 Se11 129.18(7) 2_565 3
Se12 Ba21 Se11 73.72(7) 5_565 3
Se5 Ba21 Se11 130.16(7) 3 3
Se5 Ba21 Se11 139.66(7) 8_665 3
Se11 Ba21 Se11 88.91(6) 3_554 3
Ba22 Ba21 Se8 85.6(19) . 3
Se12 Ba21 Se8 147.80(8) 2_565 3
Se12 Ba21 Se8 86.68(7) 5_565 3
Se5 Ba21 Se8 74.87(7) 3 3
Se5 Ba21 Se8 81.67(7) 8_665 3
Se11 Ba21 Se8 134.63(6) 3_554 3
Se11 Ba21 Se8 74.34(4) 3 3
Ba22 Ba21 Se8 85.6(19) . 3_554
Se12 Ba21 Se8 86.68(7) 2_565 3_554
Se12 Ba21 Se8 147.80(8) 5_565 3_554
Se5 Ba21 Se8 81.67(7) 3 3_554
Se5 Ba21 Se8 74.87(7) 8_665 3_554
Se11 Ba21 Se8 74.34(4) 3_554 3_554
Se11 Ba21 Se8 134.63(6) 3 3_554
Se8 Ba21 Se8 87.94(5) 3 3_554
Ba22 Ba21 Se12 65.2(16) . 5_564
Se12 Ba21 Se12 6.18(12) 2_565 5_564
Se12 Ba21 Se12 87.43(7) 5_565 5_564
Se5 Ba21 Se12 75.36(8) 3 5_564
Se5 Ba21 Se12 67.99(8) 8_665 5_564
Se11 Ba21 Se12 69.39(6) 3_554 5_564
Se11 Ba21 Se12 131.99(7) 3 5_564
Se8 Ba21 Se12 149.49(7) 3 5_564
Se8 Ba21 Se12 81.33(6) 3_554 5_564
Ba22 Ba21 Se12 65.2(16) . 2_566
Se12 Ba21 Se12 87.43(7) 2_565 2_566
Se12 Ba21 Se12 6.18(12) 5_565 2_566
Se5 Ba21 Se12 67.99(8) 3 2_566
Se5 Ba21 Se12 75.36(8) 8_665 2_566
Se11 Ba21 Se12 131.99(7) 3_554 2_566
Se11 Ba21 Se12 69.39(6) 3 2_566
Se8 Ba21 Se12 81.33(6) 3 2_566
Se8 Ba21 Se12 149.49(7) 3_554 2_566
Se12 Ba21 Se12 93.61(13) 5_564 2_566
Ba22 Ba21 Ba21 90.000(1) . 1_554
Se12 Ba21 Ba21 49.37(7) 2_565 1_554
Se12 Ba21 Ba21 130.63(7) 5_565 1_554
Se5 Ba21 Ba21 94.80(6) 3 1_554
Se5 Ba21 Ba21 85.20(6) 8_665 1_554
Se11 Ba21 Ba21 45.55(3) 3_554 1_554
Se11 Ba21 Ba21 134.45(3) 3 1_554
Se8 Ba21 Ba21 133.97(3) 3 1_554
Se8 Ba21 Ba21 46.03(3) 3_554 1_554
Se12 Ba21 Ba21 43.20(6) 5_564 1_554
Se12 Ba21 Ba21 136.80(6) 2_566 1_554
Ba21 Ba22 Se5 165(3) . 3
Ba21 Ba22 Se5 165(3) . 8_665
Se5 Ba22 Se5 12.8(3) 3 8_665
Ba21 Ba22 Se12 103(2) . 2_565
Se5 Ba22 Se12 91.7(15) 3 2_565
Se5 Ba22 Se12 82.4(12) 8_665 2_565
Ba21 Ba22 Se12 103(2) . 5_565
Se5 Ba22 Se12 82.4(12) 3 5_565
Se5 Ba22 Se12 91.7(15) 8_665 5_565
Se12 Ba22 Se12 91.7(12) 2_565 5_565
Ba21 Ba22 Se12 101.1(19) . 5_564
Se5 Ba22 Se12 92.4(13) 3 5_564
Se5 Ba22 Se12 82.3(11) 8_665 5_564
Se12 Ba22 Se12 6.12(12) 2_565 5_564
Se12 Ba22 Se12 97.9(12) 5_565 5_564
Ba21 Ba22 Se12 101.1(19) . 2_566
Se5 Ba22 Se12 82.3(11) 3 2_566
Se5 Ba22 Se12 92.4(13) 8_665 2_566
Se12 Ba22 Se12 97.9(12) 2_565 2_566
Se12 Ba22 Se12 6.12(12) 5_565 2_566
Se12 Ba22 Se12 104.0(12) 5_564 2_566
Ba21 Ba22 Se8 80(2) . 3
Se5 Ba22 Se8 85.7(9) 3 3
Se5 Ba22 Se8 94.4(11) 8_665 3
Se12 Ba22 Se8 176.1(16) 2_565 3
Se12 Ba22 Se8 90.78(14) 5_565 3
Se12 Ba22 Se8 170.8(10) 5_564 3
Se12 Ba22 Se8 84.67(11) 2_566 3
Ba21 Ba22 Se8 80(2) . 3_554
Se5 Ba22 Se8 94.4(11) 3 3_554
Se5 Ba22 Se8 85.7(9) 8_665 3_554
Se12 Ba22 Se8 90.78(14) 2_565 3_554
Se12 Ba22 Se8 176.1(16) 5_565 3_554
Se12 Ba22 Se8 84.67(11) 5_564 3_554
Se12 Ba22 Se8 170.8(10) 2_566 3_554
Se8 Ba22 Se8 86.5(9) 3 3_554
Ba21 Ba22 Sb42 123(3) . 8_666
Se5 Ba22 Sb42 41.9(6) 3 8_666
Se5 Ba22 Sb42 50.4(7) 8_665 8_666
Se12 Ba22 Sb42 132.9(17) 2_565 8_666
Se12 Ba22 Sb42 89.3(8) 5_565 8_666
Se12 Ba22 Sb42 132.5(16) 5_564 8_666
Se12 Ba22 Sb42 85.2(7) 2_566 8_666
Se8 Ba22 Sb42 44.1(4) 3 8_666
Se8 Ba22 Sb42 86.7(9) 3_554 8_666
Ba21 Ba22 Sb42 123(3) . 3_554
Se5 Ba22 Sb42 50.4(7) 3 3_554
Se5 Ba22 Sb42 41.9(6) 8_665 3_554
Se12 Ba22 Sb42 89.3(8) 2_565 3_554
Se12 Ba22 Sb42 132.9(17) 5_565 3_554
Se12 Ba22 Sb42 85.2(7) 5_564 3_554
Se12 Ba22 Sb42 132.5(16) 2_566 3_554
Se8 Ba22 Sb42 86.7(9) 3 3_554
Se8 Ba22 Sb42 44.1(4) 3_554 3_554
Sb42 Ba22 Sb42 57.6(7) 8_666 3_554
Ba21 Ba22 Sb41 102(3) . 5_565
Se5 Ba22 Sb41 92.3(14) 3 5_565
Se5 Ba22 Sb41 92.3(14) 8_665 5_565
Se12 Ba22 Sb41 46.2(6) 2_565 5_565
Se12 Ba22 Sb41 46.2(6) 5_565 5_565
Se12 Ba22 Sb41 52.3(6) 5_564 5_565
Se12 Ba22 Sb41 52.3(6) 2_566 5_565
Se8 Ba22 Sb41 136.7(5) 3 5_565
Se8 Ba22 Sb41 136.7(5) 3_554 5_565
Sb42 Ba22 Sb41 124.1(13) 8_666 5_565
Sb42 Ba22 Sb41 124.1(13) 3_554 5_565
Se14 Ba3 Se14 88.05(5) 7_566 7_565
Se14 Ba3 Se10 152.12(5) 7_566 7_565
Se14 Ba3 Se10 85.55(3) 7_565 7_565
Se14 Ba3 Se10 85.55(3) 7_566 7_566
Se14 Ba3 Se10 152.12(5) 7_565 7_566
Se10 Ba3 Se10 87.54(5) 7_565 7_566
Se14 Ba3 Se1 82.08(5) 7_566 .
Se14 Ba3 Se1 88.29(5) 7_565 .
Se10 Ba3 Se1 70.64(5) 7_565 .
Se10 Ba3 Se1 63.96(5) 7_566 .
Se14 Ba3 Se1 88.29(5) 7_566 6
Se14 Ba3 Se1 82.08(5) 7_565 6
Se10 Ba3 Se1 63.96(5) 7_565 6
Se10 Ba3 Se1 70.64(5) 7_566 6
Se1 Ba3 Se1 8.91(10) . 6
Se14 Ba3 Se11 139.76(5) 7_566 7_565
Se14 Ba3 Se11 79.31(4) 7_565 7_565
Se10 Ba3 Se11 65.18(4) 7_565 7_565
Se10 Ba3 Se11 121.64(5) 7_566 7_565
Se1 Ba3 Se11 134.76(6) . 7_565
Se1 Ba3 Se11 126.74(5) 6 7_565
Se14 Ba3 Se11 79.31(4) 7_566 7_566
Se14 Ba3 Se11 139.76(5) 7_565 7_566
Se10 Ba3 Se11 121.64(5) 7_565 7_566
Se10 Ba3 Se11 65.18(4) 7_566 7_566
Se1 Ba3 Se11 126.73(5) . 7_566
Se1 Ba3 Se11 134.76(6) 6 7_566
Se11 Ba3 Se11 86.10(4) 7_565 7_566
Se14 Ba3 Se17 66.31(7) 7_566 .
Se14 Ba3 Se17 73.66(7) 7_565 .
Se10 Ba3 Se17 136.46(7) 7_565 .
Se10 Ba3 Se17 127.22(7) 7_566 .
Se1 Ba3 Se17 143.60(8) . .
Se1 Ba3 Se17 144.92(8) 6 .
Se11 Ba3 Se17 73.48(7) 7_565 .
Se11 Ba3 Se17 66.25(7) 7_566 .
Se14 Ba3 Se17 73.66(7) 7_566 6
Se14 Ba3 Se17 66.31(7) 7_565 6
Se10 Ba3 Se17 127.22(7) 7_565 6
Se10 Ba3 Se17 136.45(7) 7_566 6
Se1 Ba3 Se17 144.92(8) . 6
Se1 Ba3 Se17 143.60(8) 6 6
Se11 Ba3 Se17 66.25(7) 7_565 6
Se11 Ba3 Se17 73.48(7) 7_566 6
Se17 Ba3 Se17 9.95(12) . 6
Se14 Ba3 Sb1 165.19(5) 7_566 7_565
Se14 Ba3 Sb1 104.63(5) 7_565 7_565
Se10 Ba3 Sb1 39.51(4) 7_565 7_565
Se10 Ba3 Sb1 86.53(5) 7_566 7_565
Se1 Ba3 Sb1 105.54(5) . 7_565
Se1 Ba3 Sb1 100.84(5) 6 7_565
Se11 Ba3 Sb1 39.54(4) 7_565 7_565
Se11 Ba3 Sb1 86.01(5) 7_566 7_565
Se17 Ba3 Sb1 109.46(7) . 7_565
Se17 Ba3 Sb1 104.12(7) 6 7_565
Se14 Ba3 Sb1 104.63(5) 7_566 4_455
Se14 Ba3 Sb1 165.19(5) 7_565 4_455
Se10 Ba3 Sb1 86.53(5) 7_565 4_455
Se10 Ba3 Sb1 39.51(4) 7_566 4_455
Se1 Ba3 Sb1 100.84(5) . 4_455
Se1 Ba3 Sb1 105.54(5) 6 4_455
Se11 Ba3 Sb1 86.01(5) 7_565 4_455
Se11 Ba3 Sb1 39.54(4) 7_566 4_455
Se17 Ba3 Sb1 104.12(7) . 4_455
Se17 Ba3 Sb1 109.46(7) 6 4_455
Sb1 Ba3 Sb1 61.84(8) 7_565 4_455
Se9 Ba4 Se9 89.20(4) 3_554 3
Se9 Ba4 Se10 136.83(5) 3_554 3
Se9 Ba4 Se10 75.38(4) 3 3
Se9 Ba4 Se10 75.38(4) 3_554 3_554
Se9 Ba4 Se10 136.83(5) 3 3_554
Se10 Ba4 Se10 88.70(5) 3 3_554
Se9 Ba4 Se2 69.23(5) 3_554 8_665
Se9 Ba4 Se2 79.10(5) 3 8_665
Se10 Ba4 Se2 142.13(4) 3 8_665
Se10 Ba4 Se2 128.66(4) 3_554 8_665
Se9 Ba4 Se2 79.10(5) 3_554 3
Se9 Ba4 Se2 69.23(5) 3 3
Se10 Ba4 Se2 128.66(4) 3 3
Se10 Ba4 Se2 142.13(4) 3_554 3
Se2 Ba4 Se2 13.54(7) 8_665 3
Se9 Ba4 Se7 150.04(5) 3_554 3
Se9 Ba4 Se7 84.93(3) 3 3
Se10 Ba4 Se7 69.57(4) 3 3
Se10 Ba4 Se7 126.97(5) 3_554 3
Se2 Ba4 Se7 80.81(5) 8_665 3
Se2 Ba4 Se7 71.34(5) 3 3
Se9 Ba4 Se7 84.93(3) 3_554 3_554
Se9 Ba4 Se7 150.04(5) 3 3_554
Se10 Ba4 Se7 126.97(5) 3 3_554
Se10 Ba4 Se7 69.57(4) 3_554 3_554
Se2 Ba4 Se7 71.34(5) 8_665 3_554
Se2 Ba4 Se7 80.81(5) 3 3_554
Se7 Ba4 Se7 85.67(4) 3 3_554
Se9 Ba4 Se1 67.57(5) 3_554 5_565
Se9 Ba4 Se1 73.94(5) 3 5_565
Se10 Ba4 Se1 69.44(5) 3 5_565
Se10 Ba4 Se1 62.89(5) 3_554 5_565
Se2 Ba4 Se1 128.66(6) 8_665 5_565
Se2 Ba4 Se1 129.97(6) 3 5_565
Se7 Ba4 Se1 137.36(5) 3 5_565
Se7 Ba4 Se1 129.34(5) 3_554 5_565
Se9 Ba4 Se1 73.94(5) 3_554 2_565
Se9 Ba4 Se1 67.57(5) 3 2_565
Se10 Ba4 Se1 62.89(5) 3 2_565
Se10 Ba4 Se1 69.44(5) 3_554 2_565
Se2 Ba4 Se1 129.97(6) 8_665 2_565
Se2 Ba4 Se1 128.66(6) 3 2_565
Se7 Ba4 Se1 129.34(5) 3 2_565
Se7 Ba4 Se1 137.36(5) 3_554 2_565
Se1 Ba4 Se1 8.57(9) 5_565 2_565
Se9 Ba4 Ba1 46.51(2) 3_554 5_565
Se9 Ba4 Ba1 46.51(2) 3 5_565
Se10 Ba4 Ba1 99.30(4) 3 5_565
Se10 Ba4 Ba1 99.30(4) 3_554 5_565
Se2 Ba4 Ba1 82.30(4) 8_665 5_565
Se2 Ba4 Ba1 82.30(4) 3 5_565
Se7 Ba4 Ba1 130.80(3) 3 5_565
Se7 Ba4 Ba1 130.80(3) 3_554 5_565
Se1 Ba4 Ba1 47.68(4) 5_565 5_565
Se1 Ba4 Ba1 47.68(4) 2_565 5_565
Se9 Ba4 Ba4 45.40(2) 3_554 1_554
Se9 Ba4 Ba4 134.60(2) 3 1_554
Se10 Ba4 Ba4 134.35(2) 3 1_554
Se10 Ba4 Ba4 45.65(2) 3_554 1_554
Se2 Ba4 Ba4 83.23(3) 8_665 1_554
Se2 Ba4 Ba4 96.77(3) 3 1_554
Se7 Ba4 Ba4 132.83(2) 3 1_554
Se7 Ba4 Ba4 47.17(2) 3_554 1_554
Se1 Ba4 Ba4 85.71(5) 5_565 1_554
Se1 Ba4 Ba4 94.29(5) 2_565 1_554
Ba1 Ba4 Ba4 90.0 5_565 1_554
Se15 Ba5 Se15 91.99(3) 3 3_554
Se15 Ba5 Se13 158.72(4) 3 7_565
Se15 Ba5 Se13 85.63(2) 3_554 7_565
Se15 Ba5 Se13 85.63(2) 3 7_566
Se15 Ba5 Se13 158.72(4) 3_554 7_566
Se13 Ba5 Se13 88.97(5) 7_565 7_566
Se15 Ba5 Se2 79.84(4) 3 4
Se15 Ba5 Se2 89.65(4) 3_554 4
Se13 Ba5 Se2 121.22(5) 7_565 4
Se13 Ba5 Se2 110.64(5) 7_566 4
Se15 Ba5 Se2 89.65(4) 3 7_665
Se15 Ba5 Se2 79.84(4) 3_554 7_665
Se13 Ba5 Se2 110.64(5) 7_565 7_665
Se13 Ba5 Se2 121.22(5) 7_566 7_665
Se2 Ba5 Se2 13.60(7) 4 7_665
Se15 Ba5 Se3 90.66(4) 3 8_665
Se15 Ba5 Se3 81.95(4) 3_554 8_665
Se13 Ba5 Se3 68.07(5) 7_565 8_665
Se13 Ba5 Se3 76.94(5) 7_566 8_665
Se2 Ba5 Se3 167.12(6) 4 8_665
Se2 Ba5 Se3 161.79(5) 7_665 8_665
Se15 Ba5 Se3 81.95(4) 3 3
Se15 Ba5 Se3 90.66(4) 3_554 3
Se13 Ba5 Se3 76.94(5) 7_565 3
Se13 Ba5 Se3 68.07(5) 7_566 3
Se2 Ba5 Se3 161.79(5) 4 3
Se2 Ba5 Se3 167.12(6) 7_665 3
Se3 Ba5 Se3 12.09(7) 8_665 3
Se15 Ba5 Se4 131.31(4) 3 6
Se15 Ba5 Se4 119.20(4) 3_554 6
Se13 Ba5 Se4 66.77(4) 7_565 6
Se13 Ba5 Se4 76.91(5) 7_566 6
Se2 Ba5 Se4 65.22(5) 4 6
Se2 Ba5 Se4 63.42(5) 7_665 6
Se3 Ba5 Se4 127.50(5) 8_665 6
Se3 Ba5 Se4 129.35(6) 3 6
Se15 Ba5 Se4 119.20(4) 3 .
Se15 Ba5 Se4 131.31(4) 3_554 .
Se13 Ba5 Se4 76.91(5) 7_565 .
Se13 Ba5 Se4 66.77(4) 7_566 .
Se2 Ba5 Se4 63.42(5) 4 .
Se2 Ba5 Se4 65.22(5) 7_665 .
Se3 Ba5 Se4 129.35(6) 8_665 .
Se3 Ba5 Se4 127.50(5) 3 .
Se4 Ba5 Se4 13.76(6) 6 .
Se15 Ba5 Sb2 130.63(3) 3 7_665
Se15 Ba5 Sb2 79.473(19) 3_554 7_665
Se13 Ba5 Sb2 69.72(3) 7_565 7_665
Se13 Ba5 Sb2 117.76(4) 7_566 7_665
Se2 Ba5 Sb2 51.89(4) 4 7_665
Se2 Ba5 Sb2 41.02(4) 7_665 7_665
Se3 Ba5 Sb2 134.80(4) 8_665 7_665
Se3 Ba5 Sb2 145.76(4) 3 7_665
Se4 Ba5 Sb2 40.85(4) 6 7_665
Se4 Ba5 Sb2 51.87(4) . 7_665
Se15 Ba5 Sb2 79.473(19) 3 7_666
Se15 Ba5 Sb2 130.63(3) 3_554 7_666
Se13 Ba5 Sb2 117.76(4) 7_565 7_666
Se13 Ba5 Sb2 69.72(3) 7_566 7_666
Se2 Ba5 Sb2 41.02(4) 4 7_666
Se2 Ba5 Sb2 51.89(4) 7_665 7_666
Se3 Ba5 Sb2 145.76(4) 8_665 7_666
Se3 Ba5 Sb2 134.80(4) 3 7_666
Se4 Ba5 Sb2 51.87(4) 6 7_666
Se4 Ba5 Sb2 40.85(4) . 7_666
Sb2 Ba5 Sb2 70.85(3) 7_665 7_666
Se6 Ba6 Se6 87.58(5) 7_665 7_666
Se6 Ba6 Se7 137.99(5) 7_665 7_666
Se6 Ba6 Se7 77.93(4) 7_666 7_666
Se6 Ba6 Se7 77.93(4) 7_665 7_665
Se6 Ba6 Se7 137.99(5) 7_666 7_665
Se7 Ba6 Se7 86.95(4) 7_666 7_665
Se6 Ba6 Se14 67.14(4) 7_665 7_565
Se6 Ba6 Se14 123.87(5) 7_666 7_565
Se7 Ba6 Se14 151.28(5) 7_666 7_565
Se7 Ba6 Se14 86.37(3) 7_665 7_565
Se6 Ba6 Se14 123.87(5) 7_665 7_566
Se6 Ba6 Se14 67.14(4) 7_666 7_566
Se7 Ba6 Se14 86.37(3) 7_666 7_566
Se7 Ba6 Se14 151.28(5) 7_665 7_566
Se14 Ba6 Se14 86.22(5) 7_565 7_566
Se6 Ba6 Se4 142.30(4) 7_665 .
Se6 Ba6 Se4 127.99(4) 7_666 .
Se7 Ba6 Se4 70.64(5) 7_666 .
Se7 Ba6 Se4 80.98(5) 7_665 .
Se14 Ba6 Se4 80.73(5) 7_565 .
Se14 Ba6 Se4 70.45(5) 7_566 .
Se6 Ba6 Se4 127.99(4) 7_665 6
Se6 Ba6 Se4 142.29(4) 7_666 6
Se7 Ba6 Se4 80.98(5) 7_666 6
Se7 Ba6 Se4 70.64(5) 7_665 6
Se14 Ba6 Se4 70.45(5) 7_565 6
Se14 Ba6 Se4 80.73(5) 7_566 6
Se4 Ba6 Se4 14.58(7) . 6
Se6 Ba6 Sb62 96.5(8) 7_665 1_556
Se6 Ba6 Sb62 38.2(6) 7_666 1_556
Se7 Ba6 Sb62 95.8(7) 7_666 1_556
Se7 Ba6 Sb62 173.9(8) 7_665 1_556
Se14 Ba6 Sb62 93.8(7) 7_565 1_556
Se14 Ba6 Sb62 34.7(8) 7_566 1_556
Se4 Ba6 Sb62 105.1(8) . 1_556
Se4 Ba6 Sb62 115.2(8) 6 1_556
Se6 Ba6 Sb62 38.2(6) 7_665 .
Se6 Ba6 Sb62 96.5(8) 7_666 .
Se7 Ba6 Sb62 173.9(8) 7_666 .
Se7 Ba6 Sb62 95.8(7) 7_665 .
Se14 Ba6 Sb62 34.7(8) 7_565 .
Se14 Ba6 Sb62 93.8(7) 7_566 .
Se4 Ba6 Sb62 115.2(8) . .
Se4 Ba6 Sb62 105.1(8) 6 .
Sb62 Ba6 Sb62 81.0(15) 1_556 .
Se6 Ba6 Se18 66.48(7) 7_665 4
Se6 Ba6 Se18 59.47(6) 7_666 4
Se7 Ba6 Se18 72.23(6) 7_666 4
Se7 Ba6 Se18 78.64(7) 7_665 4
Se14 Ba6 Se18 133.24(7) 7_565 4
Se14 Ba6 Se18 125.27(6) 7_566 4
Se4 Ba6 Se18 138.25(7) . 4
Se4 Ba6 Se18 140.00(7) 6 4
Sb62 Ba6 Se18 96.9(7) 1_556 4
Sb62 Ba6 Se18 102.9(7) . 4
Se6 Ba6 Se18 59.47(6) 7_665 7_665
Se6 Ba6 Se18 66.48(7) 7_666 7_665
Se7 Ba6 Se18 78.64(7) 7_666 7_665
Se7 Ba6 Se18 72.23(6) 7_665 7_665
Se14 Ba6 Se18 125.27(6) 7_565 7_665
Se14 Ba6 Se18 133.24(7) 7_566 7_665
Se4 Ba6 Se18 140.00(7) . 7_665
Se4 Ba6 Se18 138.25(7) 6 7_665
Sb62 Ba6 Se18 102.9(7) 1_556 7_665
Sb62 Ba6 Se18 96.9(7) . 7_665
Se18 Ba6 Se18 9.03(12) 4 7_665
Sb1 Sb1 Se18 149.88(12) 6 .
Sb1 Sb1 Se18 24.30(9) 6 6
Se18 Sb1 Se18 125.58(19) . 6
Sb1 Sb1 Se10 84.36(7) 6 .
Se18 Sb1 Se10 116.88(15) . .
Se18 Sb1 Se10 102.21(12) 6 .
Sb1 Sb1 Se11 84.38(7) 6 .
Se18 Sb1 Se11 114.89(15) . .
Se18 Sb1 Se11 100.73(12) 6 .
Se10 Sb1 Se11 89.85(7) . .
Sb1 Sb1 Se18 156.58(9) 6 6_556
Se18 Sb1 Se18 6.70(9) . 6_556
Se18 Sb1 Se18 132.28(15) 6 6_556
Se10 Sb1 Se18 112.39(12) . 6_556
Se11 Sb1 Se18 110.86(12) . 6_556
Sb1 Sb1 Se18 19.66(8) 6 1_554
Se18 Sb1 Se18 130.22(16) . 1_554
Se18 Sb1 Se18 4.64(6) 6 1_554
Se10 Sb1 Se18 98.83(11) . 1_554
Se11 Sb1 Se18 97.64(11) . 1_554
Se18 Sb1 Se18 136.92(15) 6_556 1_554
Sb1 Sb1 Ba3 120.92(4) 6 7_666
Se18 Sb1 Ba3 89.19(14) . 7_666
Se18 Sb1 Ba3 145.20(11) 6 7_666
Se10 Sb1 Ba3 56.06(5) . 7_666
Se11 Sb1 Ba3 57.04(5) . 7_666
Se18 Sb1 Ba3 82.50(10) 6_556 7_666
Se18 Sb1 Ba3 140.56(10) 1_554 7_666
Se7 Sb2 Se2 98.36(6) . .
Se7 Sb2 Se2 98.36(6) . 6
Se2 Sb2 Se2 93.42(9) . 6
Se7 Sb2 Se4 96.56(6) . 7_565
Se2 Sb2 Se4 164.93(8) . 7_565
Se2 Sb2 Se4 86.53(6) 6 7_565
Se7 Sb2 Se4 96.56(6) . 4_455
Se2 Sb2 Se4 86.53(6) . 4_455
Se2 Sb2 Se4 164.93(8) 6 4_455
Se4 Sb2 Se4 89.64(9) 7_565 4_455
Se7 Sb2 Ba5 144.507(13) . 7_565
Se2 Sb2 Ba5 106.31(6) . 7_565
Se2 Sb2 Ba5 55.74(5) 6 7_565
Se4 Sb2 Ba5 61.46(5) 7_565 7_565
Se4 Sb2 Ba5 109.83(6) 4_455 7_565
Se7 Sb2 Ba5 144.507(13) . 7_566
Se2 Sb2 Ba5 55.74(5) . 7_566
Se2 Sb2 Ba5 106.31(6) 6 7_566
Se4 Sb2 Ba5 109.83(6) 7_565 7_566
Se4 Sb2 Ba5 61.46(5) 4_455 7_566
Ba5 Sb2 Ba5 70.85(3) 7_565 7_566
Se13 Sb3 Se1 96.64(6) . 7_665
Se13 Sb3 Se1 96.64(6) . 4
Se1 Sb3 Se1 102.97(11) 7_665 4
Se13 Sb3 Se4 90.63(6) . 4
Se1 Sb3 Se4 168.34(7) 7_665 4
Se1 Sb3 Se4 85.14(7) 4 4
Se13 Sb3 Se4 90.63(6) . 7_665
Se1 Sb3 Se4 85.14(7) 7_665 7_665
Se1 Sb3 Se4 168.34(7) 4 7_665
Se4 Sb3 Se4 85.67(9) 4 7_665
Se13 Sb3 Se1 95.71(5) . 4_554
Se1 Sb3 Se1 6.10(7) 7_665 4_554
Se1 Sb3 Se1 109.07(7) 4 4_554
Se4 Sb3 Se1 163.55(7) 4 4_554
Se4 Sb3 Se1 79.11(6) 7_665 4_554
Se13 Sb3 Se1 95.71(5) . 7_666
Se1 Sb3 Se1 109.07(7) 7_665 7_666
Se1 Sb3 Se1 6.10(7) 4 7_666
Se4 Sb3 Se1 79.11(6) 4 7_666
Se4 Sb3 Se1 163.55(7) 7_665 7_666
Se1 Sb3 Se1 115.17(9) 4_554 7_666
Sb42 Sb41 Sb42 175.0(15) . 6
Sb42 Sb41 Se8 91.2(7) . .
Sb42 Sb41 Se8 91.2(7) 6 .
Sb42 Sb41 Se12 40.1(7) . .
Sb42 Sb41 Se12 135.4(7) 6 .
Se8 Sb41 Se12 92.84(9) . .
Sb42 Sb41 Se12 135.4(7) . 6
Sb42 Sb41 Se12 40.1(7) 6 6
Se8 Sb41 Se12 92.85(9) . 6
Se12 Sb41 Se12 95.33(18) . 6
Sb42 Sb41 Se5 138.5(7) . .
Sb42 Sb41 Se5 45.4(7) 6 .
Se8 Sb41 Se5 96.63(9) . .
Se12 Sb41 Se5 170.50(13) . .
Se12 Sb41 Se5 85.01(10) 6 .
Sb42 Sb41 Se5 45.4(7) . 6
Sb42 Sb41 Se5 138.5(7) 6 6
Se8 Sb41 Se5 96.62(9) . 6
Se12 Sb41 Se5 85.01(10) . 6
Se12 Sb41 Se5 170.50(13) 6 6
Se5 Sb41 Se5 93.10(15) . 6
Sb42 Sb41 Ba22 87.6(7) . 5_565
Sb42 Sb41 Ba22 87.6(7) 6 5_565
Se8 Sb41 Ba22 101.2(8) . 5_565
Se12 Sb41 Ba22 48.06(13) . 5_565
Se12 Sb41 Ba22 48.05(13) 6 5_565
Se5 Sb41 Ba22 130.0(3) . 5_565
Se5 Sb41 Ba22 130.0(3) 6 5_565
Sb42 Sb41 Ba22 128.5(8) . 3_545
Sb42 Sb41 Ba22 56.4(8) 6 3_545
Se8 Sb41 Ba22 58.1(7) . 3_545
Se12 Sb41 Ba22 150.7(7) . 3_545
Se12 Sb41 Ba22 90.1(4) 6 3_545
Se5 Sb41 Ba22 38.6(7) . 3_545
Se5 Sb41 Ba22 94.2(4) 6 3_545
Ba22 Sb41 Ba22 134.7(5) 5_565 3_545
Sb42 Sb41 Ba22 56.4(8) . 3_544
Sb42 Sb41 Ba22 128.5(8) 6 3_544
Se8 Sb41 Ba22 58.1(7) . 3_544
Se12 Sb41 Ba22 90.1(4) . 3_544
Se12 Sb41 Ba22 150.7(7) 6 3_544
Se5 Sb41 Ba22 94.2(4) . 3_544
Se5 Sb41 Ba22 38.6(7) 6 3_544
Ba22 Sb41 Ba22 134.7(5) 5_565 3_544
Ba22 Sb41 Ba22 72.1(8) 3_545 3_544
Sb41 Sb42 Sb42 2.5(7) . 6
Sb41 Sb42 Se12 131.3(8) . .
Sb42 Sb42 Se12 129.10(18) 6 .
Sb41 Sb42 Se5 125.3(8) . 6
Sb42 Sb42 Se5 127.29(17) 6 6
Se12 Sb42 Se5 102.7(3) . 6
Sb41 Sb42 Se8 76.7(7) . .
Sb42 Sb42 Se8 77.94(16) 6 .
Se12 Sb42 Se8 100.92(18) . .
Se5 Sb42 Se8 104.17(19) 6 .
Sb41 Sb42 Se12 139.5(8) . 6_554
Sb42 Sb42 Se12 137.22(15) 6 6_554
Se12 Sb42 Se12 8.12(16) . 6_554
Se5 Sb42 Se12 94.7(3) 6 6_554
Se8 Sb42 Se12 101.76(18) . 6_554
Sb41 Sb42 Se5 134.3(8) . 1_554
Sb42 Sb42 Se5 136.24(14) 6 1_554
Se12 Sb42 Se5 93.9(3) . 1_554
Se5 Sb42 Se5 8.95(12) 6 1_554
Se8 Sb42 Se5 104.69(19) . 1_554
Se12 Sb42 Se5 85.8(2) 6_554 1_554
Sb41 Sb42 Ba22 116.4(8) . 3_544
Sb42 Sb42 Ba22 118.8(4) 6 3_544
Se12 Sb42 Ba22 103.9(5) . 3_544
Se5 Sb42 Ba22 42.2(8) 6 3_544
Se8 Sb42 Ba22 62.4(7) . 3_544
Se12 Sb42 Ba22 97.1(4) 6_554 3_544
Se5 Sb42 Ba22 42.4(7) 1_554 3_544
Sb41 Sb42 Ba22 84.1(7) . 5_565
Sb42 Sb42 Ba22 81.79(14) 6 5_565
Se12 Sb42 Ba22 47.79(18) . 5_565
Se5 Sb42 Ba22 145.6(5) 6 5_565
Se8 Sb42 Ba22 99.5(8) . 5_565
Se12 Sb42 Ba22 55.81(16) 6_554 5_565
Se5 Sb42 Ba22 138.2(4) 1_554 5_565
Ba22 Sb42 Ba22 145.4(6) 3_544 5_565
Sb52 Sb51 Se3 52.01(11) . .
Sb52 Sb51 Se3 52.01(11) . 6
Se3 Sb51 Se3 97.67(10) . 6
Sb52 Sb51 Se9 75.7(3) . .
Se3 Sb51 Se9 94.24(6) . .
Se3 Sb51 Se9 94.25(6) 6 .
Sb52 Sb51 Se2 133.70(11) . 6
Se3 Sb51 Se2 174.29(8) . 6
Se3 Sb51 Se2 87.44(6) 6 6
Se9 Sb51 Se2 87.88(6) . 6
Sb52 Sb51 Se2 133.70(11) . .
Se3 Sb51 Se2 87.44(6) . .
Se3 Sb51 Se2 174.29(8) 6 .
Se9 Sb51 Se2 87.88(6) . .
Se2 Sb51 Se2 87.34(9) 6 .
Sb51 Sb52 Se3 108.43(18) . .
Sb51 Sb52 Se3 108.43(18) . 6
Se3 Sb52 Se3 130.0(3) . 6
Sb51 Sb52 Se9 84.2(3) . .
Se3 Sb52 Se9 108.15(14) . .
Se3 Sb52 Se9 108.15(14) 6 .
Sb51 Sb52 Se16 175.5(5) . 3_544
Se3 Sb52 Se16 72.95(18) . 3_544
Se3 Sb52 Se16 72.94(18) 6 3_544
Se9 Sb52 Se16 91.4(3) . 3_544
Sb51 Sb52 Se3 103.99(13) . 1_554
Se3 Sb52 Se3 136.1(2) . 1_554
Se3 Sb52 Se3 6.16(4) 6 1_554
Se9 Sb52 Se3 103.78(10) . 1_554
Se16 Sb52 Se3 77.04(14) 3_544 1_554
Sb51 Sb52 Se3 103.99(13) . 6_556
Se3 Sb52 Se3 6.15(4) . 6_556
Se3 Sb52 Se3 136.1(2) 6 6_556
Se9 Sb52 Se3 103.78(10) . 6_556
Se16 Sb52 Se3 77.04(14) 3_544 6_556
Se3 Sb52 Se3 142.3(2) 1_554 6_556
Sb51 Sb52 Ba1 121.3(3) . 7_666
Se3 Sb52 Ba1 58.39(10) . 7_666
Se3 Sb52 Ba1 122.9(2) 6 7_666
Se9 Sb52 Ba1 55.76(8) . 7_666
Se16 Sb52 Ba1 55.5(2) 3_544 7_666
Se3 Sb52 Ba1 124.35(16) 1_554 7_666
Se3 Sb52 Ba1 56.64(7) 6_556 7_666
Sb51 Sb52 Ba1 121.3(3) . 7_665
Se3 Sb52 Ba1 122.9(2) . 7_665
Se3 Sb52 Ba1 58.39(10) 6 7_665
Se9 Sb52 Ba1 55.76(8) . 7_665
Se16 Sb52 Ba1 55.5(2) 3_544 7_665
Se3 Sb52 Ba1 56.64(7) 1_554 7_665
Se3 Sb52 Ba1 124.35(16) 6_556 7_665
Ba1 Sb52 Ba1 72.13(9) 7_666 7_665
Sb61 Sb61 Sb62 69(2) 6_556 1_556
Sb61 Sb61 Se17 152.74(14) 6_556 .
Sb62 Sb61 Se17 135(2) 1_556 .
Sb61 Sb61 Se17 21.44(11) 6_556 6_556
Sb62 Sb61 Se17 88(2) 1_556 6_556
Se17 Sb61 Se17 131.3(2) . 6_556
Sb61 Sb61 Se17 159.09(10) 6_556 6
Sb62 Sb61 Se17 130(2) 1_556 6
Se17 Sb61 Se17 6.35(9) . 6
Se17 Sb61 Se17 137.65(19) 6_556 6
Sb61 Sb61 Se6 83.92(7) 6_556 7_666
Sb62 Sb61 Se6 58(3) 1_556 7_666
Se17 Sb61 Se6 119.02(16) . 7_666
Se17 Sb61 Se6 102.30(13) 6_556 7_666
Se17 Sb61 Se6 113.80(13) 6 7_666
Sb61 Sb61 Se14 84.02(6) 6_556 7_566
Sb62 Sb61 Se14 37(3) 1_556 7_566
Se17 Sb61 Se14 108.26(14) . 7_566
Se17 Sb61 Se14 94.57(12) 6_556 7_566
Se17 Sb61 Se14 105.62(11) 6 7_566
Se6 Sb61 Se14 91.25(10) 7_666 7_566
Sb61 Sb61 Se17 17.25(9) 6_556 1_556
Sb62 Sb61 Se17 84(2) 1_556 1_556
Se17 Sb61 Se17 135.5(2) . 1_556
Se17 Sb61 Se17 4.20(6) 6_556 1_556
Se17 Sb61 Se17 141.85(18) 6 1_556
Se6 Sb61 Se17 98.72(12) 7_666 1_556
Se14 Sb61 Se17 92.51(10) 7_566 1_556
Sb61 Sb61 Ba6 121.09(4) 6_556 .
Sb62 Sb61 Ba6 54(2) 1_556 .
Se17 Sb61 Ba6 85.45(14) . .
Se17 Sb61 Ba6 141.62(13) 6_556 .
Se17 Sb61 Ba6 79.25(10) 6 .
Se6 Sb61 Ba6 57.08(5) 7_666 .
Se14 Sb61 Ba6 57.85(6) 7_566 .
Se17 Sb61 Ba6 137.65(11) 1_556 .
Sb61 Sb62 Sb61 43(4) 1_554 6
Sb61 Sb62 Se14 131(4) 1_554 7_565
Sb61 Sb62 Se14 131(4) 6 7_565
Sb61 Sb62 Se6 106(4) 1_554 7_665
Sb61 Sb62 Se6 106(4) 6 7_665
Se14 Sb62 Se6 118(3) 7_565 7_665
Sb61 Sb62 Se17 33.1(10) 1_554 1_554
Sb61 Sb62 Se17 75(3) 6 1_554
Se14 Sb62 Se17 107.7(12) 7_565 1_554
Se6 Sb62 Se17 109.1(13) 7_665 1_554
Sb61 Sb62 Se17 75(3) 1_554 6
Sb61 Sb62 Se17 33.1(10) 6 6
Se14 Sb62 Se17 107.7(12) 7_565 6
Se6 Sb62 Se17 109.1(13) 7_665 6
Se17 Sb62 Se17 105(3) 1_554 6
Sb61 Sb62 Se17 82(3) 1_554 .
Sb61 Sb62 Se17 39.4(10) 6 .
Se14 Sb62 Se17 104.7(10) 7_565 .
Se6 Sb62 Se17 105.9(11) 7_665 .
Se17 Sb62 Se17 112(2) 1_554 .
Se17 Sb62 Se17 6.99(15) 6 .
Sb61 Sb62 Se17 39.4(10) 1_554 6_554
Sb61 Sb62 Se17 82(3) 6 6_554
Se14 Sb62 Se17 104.7(10) 7_565 6_554
Se6 Sb62 Se17 105.9(11) 7_665 6_554
Se17 Sb62 Se17 6.99(15) 1_554 6_554
Se17 Sb62 Se17 112(2) 6 6_554
Se17 Sb62 Se17 119(2) . 6_554
Sb61 Sb62 Ba6 157(3) 1_554 .
Sb61 Sb62 Ba6 116.4(15) 6 .
Se14 Sb62 Ba6 68.0(16) 7_565 .
Se6 Sb62 Ba6 65.7(13) 7_665 .
Se17 Sb62 Ba6 168(2) 1_554 .
Se17 Sb62 Ba6 87.1(6) 6 .
Se17 Sb62 Ba6 80.1(4) . .
Se17 Sb62 Ba6 161(2) 6_554 .
Sb61 Sb62 Ba6 116.4(15) 1_554 1_554
Sb61 Sb62 Ba6 157(3) 6 1_554
Se14 Sb62 Ba6 68.0(16) 7_565 1_554
Se6 Sb62 Ba6 65.7(13) 7_665 1_554
Se17 Sb62 Ba6 87.1(6) 1_554 1_554
Se17 Sb62 Ba6 168(2) 6 1_554
Se17 Sb62 Ba6 161(2) . 1_554
Se17 Sb62 Ba6 80.1(4) 6_554 1_554
Ba6 Sb62 Ba6 81.0(15) . 1_554
Sb71 Sb72 Se12 155.6(11) . 4_554
Sb71 Sb72 Se12 155.6(11) . 7_666
Se12 Sb72 Se12 11.5(2) 4_554 7_666
Sb71 Sb72 Se5 108.5(7) . .
Se12 Sb72 Se5 91.7(4) 4_554 .
Se12 Sb72 Se5 83.4(4) 7_666 .
Sb71 Sb72 Se5 108.5(7) . 6
Se12 Sb72 Se5 83.4(4) 4_554 6
Se12 Sb72 Se5 91.7(4) 7_666 6
Se5 Sb72 Se5 92.6(4) . 6
Sb71 Sb72 Ba22 142.3(6) . 3_544
Se12 Sb72 Ba22 45.7(6) 4_554 3_544
Se12 Sb72 Ba22 54.4(6) 7_666 3_544
Se5 Sb72 Ba22 92.6(6) . 3_544
Se5 Sb72 Ba22 37.7(6) 6 3_544
Sb71 Sb72 Ba22 142.3(6) . 3_545
Se12 Sb72 Ba22 54.4(6) 4_554 3_545
Se12 Sb72 Ba22 45.7(6) 7_666 3_545
Se5 Sb72 Ba22 37.7(6) . 3_545
Se5 Sb72 Ba22 92.6(6) 6 3_545
Ba22 Sb72 Ba22 70.8(9) 3_544 3_545
Se1 Se1 Sb3 141.48(5) 6 7_566
Se1 Se1 Sb3 32.41(4) 6 7_565
Sb3 Se1 Sb3 109.07(7) 7_566 7_565
Se1 Se1 Ba3 85.55(5) 6 .
Sb3 Se1 Ba3 98.68(7) 7_566 .
Sb3 Se1 Ba3 90.69(6) 7_565 .
Se1 Se1 Ba1 85.55(5) 6 .
Sb3 Se1 Ba1 94.50(7) 7_566 .
Sb3 Se1 Ba1 87.13(6) 7_565 .
Ba3 Se1 Ba1 166.62(8) . .
Se1 Se1 Ba4 85.71(5) 6 5_565
Sb3 Se1 Ba4 132.56(9) 7_566 5_565
Sb3 Se1 Ba4 117.95(8) 7_565 5_565
Ba3 Se1 Ba4 87.11(5) . 5_565
Ba1 Se1 Ba4 82.29(5) . 5_565
Se2 Se2 Sb2 136.72(5) 6_556 .
Se2 Se2 Sb51 133.67(5) 6_556 .
Sb2 Se2 Sb51 89.42(6) . .
Se2 Se2 Ba5 83.20(3) 6_556 7_566
Sb2 Se2 Ba5 83.24(6) . 7_566
Sb51 Se2 Ba5 102.44(7) . 7_566
Se2 Se2 Ba4 83.23(3) 6_556 3_545
Sb2 Se2 Ba4 95.01(6) . 3_545
Sb51 Se2 Ba4 99.41(7) . 3_545
Ba5 Se2 Ba4 158.05(7) 7_566 3_545
Se3 Se3 Sb52 155.00(13) 6_556 .
Se3 Se3 Sb51 138.85(5) 6_556 .
Sb52 Se3 Sb51 19.56(13) . .
Se3 Se3 Sb52 18.87(11) 6_556 1_556
Sb52 Se3 Sb52 136.1(2) . 1_556
Sb51 Se3 Sb52 120.91(13) . 1_556
Se3 Se3 Ba1 83.87(3) 6_556 7_666
Sb52 Se3 Ba1 88.33(14) . 7_666
Sb51 Se3 Ba1 96.85(7) . 7_666
Sb52 Se3 Ba1 78.60(11) 1_556 7_666
Se3 Se3 Ba1 83.93(3) 6_556 3_545
Sb52 Se3 Ba1 119.35(15) . 3_545
Sb51 Se3 Ba1 137.21(8) . 3_545
Sb52 Se3 Ba1 101.64(12) 1_556 3_545
Ba1 Se3 Ba1 86.61(5) 7_666 3_545
Se3 Se3 Ba5 83.95(3) 6_556 3_545
Sb52 Se3 Ba5 106.47(14) . 3_545
Sb51 Se3 Ba5 98.31(7) . 3_545
Sb52 Se3 Ba5 92.53(11) 1_556 3_545
Ba1 Se3 Ba5 164.79(7) 7_666 3_545
Ba1 Se3 Ba5 83.09(5) 3_545 3_545
Se4 Se4 Sb2 134.81(5) 6 7_666
Se4 Se4 Sb3 132.83(5) 6 7_566
Sb2 Se4 Sb3 89.78(6) 7_666 7_566
Se4 Se4 Ba6 82.72(3) 6 .
Sb2 Se4 Ba6 94.95(6) 7_666 .
Sb3 Se4 Ba6 112.62(7) 7_566 .
Se4 Se4 Ba5 83.10(3) 6 .
Sb2 Se4 Ba5 77.69(6) 7_666 .
Sb3 Se4 Ba5 95.43(6) 7_566 .
Ba6 Se4 Ba5 151.09(7) . .
Se5 Se5 Sb42 127.29(17) 6_556 6
Se5 Se5 Ba22 83.58(17) 6_556 3_545
Sb42 Se5 Ba22 95.9(8) 6 3_545
Se5 Se5 Sb41 136.55(7) 6_556 .
Sb42 Se5 Sb41 9.27(16) 6 .
Ba22 Se5 Sb41 96.1(7) 3_545 .
Se5 Se5 Sb72 136.3(2) 6_556 .
Sb42 Se5 Sb72 96.1(3) 6 .
Ba22 Se5 Sb72 98.0(7) 3_545 .
Sb41 Se5 Sb72 86.9(2) . .
Se5 Se5 Sb42 43.76(14) 6_556 1_556
Sb42 Se5 Sb42 83.5(3) 6 1_556
Ba22 Se5 Sb42 87.2(7) 3_545 1_556
Sb41 Se5 Sb42 92.79(14) . 1_556
Sb72 Se5 Sb42 174.8(3) . 1_556
Se5 Se5 Ba21 85.19(6) 6_556 3_545
Sb42 Se5 Ba21 92.13(13) 6 3_545
Ba22 Se5 Ba21 3.9(9) 3_545 3_545
Sb41 Se5 Ba21 92.51(9) . 3_545
Sb72 Se5 Ba21 99.3(3) . 3_545
Sb42 Se5 Ba21 85.86(12) 1_556 3_545
Sb62 Se6 Sb61 16.1(16) 7_566 7_565
Sb62 Se6 Sb61 16.1(16) 7_566 4_455
Sb61 Se6 Sb61 12.16(13) 7_565 4_455
Sb62 Se6 Ba6 76.1(13) 7_566 7_565
Sb61 Se6 Ba6 82.62(7) 7_565 7_565
Sb61 Se6 Ba6 91.04(8) 4_455 7_565
Sb62 Se6 Ba6 76.1(13) 7_566 7_566
Sb61 Se6 Ba6 91.04(8) 7_565 7_566
Sb61 Se6 Ba6 82.62(7) 4_455 7_566
Ba6 Se6 Ba6 87.58(5) 7_565 7_566
Sb2 Se7 Ba6 97.83(5) . 7_565
Sb2 Se7 Ba6 97.83(5) . 7_566
Ba6 Se7 Ba6 86.95(4) 7_565 7_566
Sb2 Se7 Ba4 95.03(5) . 3_545
Ba6 Se7 Ba4 167.11(6) 7_565 3_545
Ba6 Se7 Ba4 92.252(19) 7_566 3_545
Sb2 Se7 Ba4 95.03(5) . 3_544
Ba6 Se7 Ba4 92.252(19) 7_565 3_544
Ba6 Se7 Ba4 167.11(6) 7_566 3_544
Ba4 Se7 Ba4 85.66(4) 3_545 3_544
Sb41 Se8 Sb42 12.06(16) . 6
Sb41 Se8 Sb42 12.06(16) . .
Sb42 Se8 Sb42 24.1(3) 6 .
Sb41 Se8 Ba21 95.90(7) . 3_545
Sb42 Se8 Ba21 87.77(15) 6 3_545
Sb42 Se8 Ba21 104.53(14) . 3_545
Sb41 Se8 Ba21 95.90(7) . 3_544
Sb42 Se8 Ba21 104.54(14) 6 3_544
Sb42 Se8 Ba21 87.77(15) . 3_544
Ba21 Se8 Ba21 87.94(5) 3_545 3_544
Sb41 Se8 Ba22 81.4(9) . 3_545
Sb42 Se8 Ba22 73.5(9) 6 3_545
Sb42 Se8 Ba22 90.1(9) . 3_545
Ba21 Se8 Ba22 14.5(9) 3_545 3_545
Ba21 Se8 Ba22 89.1(5) 3_544 3_545
Sb41 Se8 Ba22 81.4(9) . 3_544
Sb42 Se8 Ba22 90.1(9) 6 3_544
Sb42 Se8 Ba22 73.5(9) . 3_544
Ba21 Se8 Ba22 89.1(5) 3_545 3_544
Ba21 Se8 Ba22 14.5(9) 3_544 3_544
Ba22 Se8 Ba22 86.5(9) 3_545 3_544
Sb52 Se9 Sb51 20.14(11) . .
Sb52 Se9 Ba1 83.54(9) . 7_666
Sb51 Se9 Ba1 97.73(5) . 7_666
Sb52 Se9 Ba1 83.54(9) . 7_665
Sb51 Se9 Ba1 97.73(5) . 7_665
Ba1 Se9 Ba1 90.08(5) 7_666 7_665
Sb52 Se9 Ba4 116.70(8) . 3_545
Sb51 Se9 Ba4 103.39(5) . 3_545
Ba1 Se9 Ba4 86.51(2) 7_666 3_545
Ba1 Se9 Ba4 158.87(6) 7_665 3_545
Sb52 Se9 Ba4 116.70(8) . 3_544
Sb51 Se9 Ba4 103.39(5) . 3_544
Ba1 Se9 Ba4 158.87(6) 7_666 3_544
Ba1 Se9 Ba4 86.51(2) 7_665 3_544
Ba4 Se9 Ba4 89.20(4) 3_545 3_544
Sb1 Se10 Sb1 11.27(14) 6 .
Sb1 Se10 Ba4 102.05(7) 6 3_544
Sb1 Se10 Ba4 110.24(7) . 3_544
Sb1 Se10 Ba4 110.24(7) 6 3_545
Sb1 Se10 Ba4 102.05(7) . 3_545
Ba4 Se10 Ba4 88.71(5) 3_544 3_545
Sb1 Se10 Ba3 92.22(7) 6 7_666
Sb1 Se10 Ba3 84.42(7) . 7_666
Ba4 Se10 Ba3 165.22(6) 3_544 7_666
Ba4 Se10 Ba3 89.99(2) 3_545 7_666
Sb1 Se10 Ba3 84.42(7) 6 7_665
Sb1 Se10 Ba3 92.22(7) . 7_665
Ba4 Se10 Ba3 89.99(2) 3_544 7_665
Ba4 Se10 Ba3 165.22(6) 3_545 7_665
Ba3 Se10 Ba3 87.53(5) 7_666 7_665
Sb1 Se11 Sb1 11.24(14) . 6
Sb1 Se11 Ba21 94.21(7) . 3_545
Sb1 Se11 Ba21 102.16(7) 6 3_545
Sb1 Se11 Ba21 102.16(8) . 3_544
Sb1 Se11 Ba21 94.21(7) 6 3_544
Ba21 Se11 Ba21 88.90(6) 3_545 3_544
Sb1 Se11 Ba3 91.09(7) . 7_665
Sb1 Se11 Ba3 83.42(7) 6 7_665
Ba21 Se11 Ba3 174.22(6) 3_545 7_665
Ba21 Se11 Ba3 92.22(2) 3_544 7_665
Sb1 Se11 Ba3 83.42(7) . 7_666
Sb1 Se11 Ba3 91.09(7) 6 7_666
Ba21 Se11 Ba3 92.22(2) 3_545 7_666
Ba21 Se11 Ba3 174.22(6) 3_544 7_666
Ba3 Se11 Ba3 86.11(4) 7_665 7_666
Se12 Se12 Sb42 129.11(19) 6_554 .
Se12 Se12 Sb72 84.26(11) 6_554 7_565
Sb42 Se12 Sb72 102.2(3) . 7_565
Se12 Se12 Sb42 42.78(16) 6_554 6_554
Sb42 Se12 Sb42 86.3(3) . 6_554
Sb72 Se12 Sb42 93.2(2) 7_565 6_554
Se12 Se12 Sb41 137.67(8) 6_554 .
Sb42 Se12 Sb41 8.57(18) . .
Sb72 Se12 Sb41 101.4(2) 7_565 .
Sb42 Se12 Sb41 94.89(15) 6_554 .
Se12 Se12 Ba22 135.9(6) 6_554 5_565
Sb42 Se12 Ba22 94.1(6) . 5_565
Sb72 Se12 Ba22 96.2(11) 7_565 5_565
Sb42 Se12 Ba22 170.4(11) 6_554 5_565
Sb41 Se12 Ba22 85.7(6) . 5_565
Se12 Se12 Ba21 130.61(7) 6_554 5_565
Sb42 Se12 Ba21 94.6(2) . 5_565
Sb72 Se12 Ba21 110.7(3) 7_565 5_565
Sb42 Se12 Ba21 155.21(14) 6_554 5_565
Sb41 Se12 Ba21 86.94(13) . 5_565
Ba22 Se12 Ba21 15.1(11) 5_565 5_565
Se12 Se12 Ba22 38.0(6) 6_554 5_564
Sb42 Se12 Ba22 163.9(7) . 5_564
Sb72 Se12 Ba22 87.3(10) 7_565 5_564
Sb42 Se12 Ba22 80.1(6) 6_554 5_564
Sb41 Se12 Ba22 170.2(9) . 5_564
Ba22 Se12 Ba22 97.9(12) 5_565 5_564
Ba21 Se12 Ba22 94.2(7) 5_565 5_564
Se12 Se12 Ba21 43.18(6) 6_554 5_564
Sb42 Se12 Ba21 154.53(16) . 5_564
Sb72 Se12 Ba21 100.8(2) 7_565 5_564
Sb42 Se12 Ba21 81.53(17) 6_554 5_564
Sb41 Se12 Ba21 157.64(11) . 5_564
Ba22 Se12 Ba21 94.2(7) 5_565 5_564
Ba21 Se12 Ba21 87.43(7) 5_565 5_564
Ba22 Se12 Ba21 13.7(9) 5_564 5_564
Sb3 Se13 Ba5 106.93(4) . 7_666
Sb3 Se13 Ba5 106.93(4) . 7_665
Ba5 Se13 Ba5 88.97(5) 7_666 7_665
Sb3 Se13 Ba1 96.89(4) . 7_665
Ba5 Se13 Ba1 156.08(6) 7_666 7_665
Ba5 Se13 Ba1 86.11(2) 7_665 7_665
Sb3 Se13 Ba1 96.89(4) . 7_666
Ba5 Se13 Ba1 86.11(2) 7_666 7_666
Ba5 Se13 Ba1 156.08(6) 7_665 7_666
Ba1 Se13 Ba1 88.97(4) 7_665 7_666
Sb62 Se14 Sb61 12.3(15) 7_666 4
Sb62 Se14 Sb61 12.3(15) 7_666 7_665
Sb61 Se14 Sb61 11.91(13) 4 7_665
Sb62 Se14 Ba3 98.4(12) 7_666 7_665
Sb61 Se14 Ba3 94.81(7) 4 7_665
Sb61 Se14 Ba3 86.54(7) 7_665 7_665
Sb62 Se14 Ba3 98.4(12) 7_666 7_666
Sb61 Se14 Ba3 86.54(7) 4 7_666
Sb61 Se14 Ba3 94.81(7) 7_665 7_666
Ba3 Se14 Ba3 88.05(5) 7_665 7_666
Sb62 Se14 Ba6 77.3(12) 7_666 7_666
Sb61 Se14 Ba6 81.04(6) 4 7_666
Sb61 Se14 Ba6 89.20(7) 7_665 7_666
Ba3 Se14 Ba6 175.72(6) 7_665 7_666
Ba3 Se14 Ba6 92.716(19) 7_666 7_666
Sb62 Se14 Ba6 77.3(12) 7_666 7_665
Sb61 Se14 Ba6 89.20(7) 4 7_665
Sb61 Se14 Ba6 81.04(6) 7_665 7_665
Ba3 Se14 Ba6 92.716(19) 7_665 7_665
Ba3 Se14 Ba6 175.72(6) 7_666 7_665
Ba6 Se14 Ba6 86.22(5) 7_666 7_665
Ba5 Se15 Ba5 180.00(3) 7_566 3_544
Ba5 Se15 Ba5 88.00(3) 7_566 3_545
Ba5 Se15 Ba5 92.00(3) 3_544 3_545
Ba5 Se15 Ba5 92.00(3) 7_566 7_565
Ba5 Se15 Ba5 88.00(3) 3_544 7_565
Ba5 Se15 Ba5 180.00(3) 3_545 7_565
Se16 Se16 Sb52 168(3) 5_564 3_554
Se16 Se16 Ba1 88.7(18) 5_564 5_565
Sb52 Se16 Ba1 82.9(3) 3_554 5_565
Se16 Se16 Ba1 88.7(18) 5_564 5_564
Sb52 Se16 Ba1 82.9(3) 3_554 5_564
Ba1 Se16 Ba1 90.3(4) 5_565 5_564
Se16 Se16 Ba1 80.1(18) 5_564 .
Sb52 Se16 Ba1 108.3(2) 3_554 .
Ba1 Se16 Ba1 89.43(3) 5_565 .
Ba1 Se16 Ba1 168.7(2) 5_564 .
Se16 Se16 Ba1 80.1(18) 5_564 1_554
Sb52 Se16 Ba1 108.3(2) 3_554 1_554
Ba1 Se16 Ba1 168.7(2) 5_565 1_554
Ba1 Se16 Ba1 89.43(3) 5_564 1_554
Ba1 Se16 Ba1 88.6(4) . 1_554
Se17 Se17 Sb61 152.74(13) 6 .
Se17 Se17 Sb61 158.58(11) 6 6_556
Sb61 Se17 Sb61 5.85(7) . 6_556
Se17 Se17 Sb61 20.93(10) 6 6
Sb61 Se17 Sb61 131.8(2) . 6
Sb61 Se17 Sb61 137.65(19) 6_556 6
Se17 Se17 Sb62 142.4(13) 6 1_556
Sb61 Se17 Sb62 12.0(13) . 1_556
Sb61 Se17 Sb62 17.1(13) 6_556 1_556
Sb61 Se17 Sb62 121.8(13) 6 1_556
Se17 Se17 Sb61 17.24(9) 6 1_554
Sb61 Se17 Sb61 135.5(2) . 1_554
Sb61 Se17 Sb61 141.34(18) 6_556 1_554
Sb61 Se17 Sb61 3.69(4) 6 1_554
Sb62 Se17 Sb61 125.5(13) 1_556 1_554
Se17 Se17 Sb62 30.6(12) 6 .
Sb61 Se17 Sb62 122.5(12) . .
Sb61 Se17 Sb62 128.3(12) 6_556 .
Sb61 Se17 Sb62 10.9(12) 6 .
Sb62 Se17 Sb62 112(3) 1_556 .
Sb61 Se17 Sb62 14.1(12) 1_554 .
Se17 Se17 Ba3 85.04(6) 6 .
Sb61 Se17 Ba3 93.74(13) . .
Sb61 Se17 Ba3 94.08(11) 6_556 .
Sb61 Se17 Ba3 84.82(10) 6 .
Sb62 Se17 Ba3 86.0(11) 1_556 .
Sb61 Se17 Ba3 84.81(9) 1_554 .
Sb62 Se17 Ba3 79.1(9) . .
Se18 Se18 Sb1 149.87(12) 6_556 .
Se18 Se18 Sb1 155.70(9) 6_556 6
Sb1 Se18 Sb1 5.83(8) . 6
Se18 Se18 Sb1 23.43(9) 6_556 6_556
Sb1 Se18 Sb1 126.44(18) . 6_556
Sb1 Se18 Sb1 132.28(15) 6 6_556
Se18 Se18 Sb1 19.65(8) 6_556 1_556
Sb1 Se18 Sb1 130.22(16) . 1_556
Sb1 Se18 Sb1 136.05(15) 6 1_556
Sb1 Se18 Sb1 3.78(5) 6_556 1_556
Se18 Se18 Ba6 85.48(5) 6_556 7_566
Sb1 Se18 Ba6 114.49(15) . 7_566
Sb1 Se18 Ba6 110.84(12) 6 7_566
Sb1 Se18 Ba6 101.66(11) 6_556 7_566
Sb1 Se18 Ba6 99.09(10) 1_556 7_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 Se16 3.265(10) 5_565
Ba1 Se16 3.265(10) 5_564
Ba1 Se9 3.2722(13) 7_565
Ba1 Se9 3.2722(13) 7_566
Ba1 Se13 3.3042(13) 7_566
Ba1 Se13 3.3042(13) 7_565
Ba1 Se16 3.314(10) .
Ba1 Se16 3.314(10) 1_556
Ba1 Se3 3.351(2) 7_565
Ba1 Se3 3.351(2) 4_455
Ba1 Se1 3.359(2) 6
Ba1 Se1 3.359(2) .
Ba21 Ba22 0.85(5) .
Ba21 Se12 3.173(4) 2_565
Ba21 Se12 3.173(4) 5_565
Ba21 Se5 3.296(3) 3
Ba21 Se5 3.296(3) 8_665
Ba21 Se11 3.3059(17) 3_554
Ba21 Se11 3.3059(17) 3
Ba21 Se8 3.3347(16) 3
Ba21 Se8 3.3347(16) 3_554
Ba21 Se12 3.518(4) 5_564
Ba21 Se12 3.518(4) 2_566
Ba21 Ba21 4.6305(5) 1_554
Ba22 Se5 2.47(5) 3
Ba22 Se5 2.47(5) 8_665
Ba22 Se12 2.88(3) 2_565
Ba22 Se12 2.88(3) 5_565
Ba22 Se12 3.25(3) 5_564
Ba22 Se12 3.25(3) 2_566
Ba22 Se8 3.38(3) 3
Ba22 Se8 3.38(3) 3_554
Ba22 Sb42 3.66(4) 8_666
Ba22 Sb42 3.66(4) 3_554
Ba22 Sb41 3.86(4) 5_565
Ba3 Se14 3.3316(14) 7_566
Ba3 Se14 3.3316(14) 7_565
Ba3 Se10 3.3470(14) 7_565
Ba3 Se10 3.3470(14) 7_566
Ba3 Se1 3.350(2) .
Ba3 Se1 3.350(2) 6
Ba3 Se11 3.3916(14) 7_565
Ba3 Se11 3.3916(14) 7_566
Ba3 Se17 3.499(4) .
Ba3 Se17 3.500(4) 6
Ba3 Sb1 4.015(2) 7_565
Ba3 Sb1 4.015(2) 4_455
Ba4 Se9 3.2973(13) 3_554
Ba4 Se9 3.2973(13) 3
Ba4 Se10 3.3119(14) 3
Ba4 Se10 3.3119(14) 3_554
Ba4 Se2 3.341(2) 8_665
Ba4 Se2 3.341(2) 3
Ba4 Se7 3.4054(14) 3
Ba4 Se7 3.4054(14) 3_554
Ba4 Se1 3.482(2) 5_565
Ba4 Se1 3.482(2) 2_565
Ba4 Ba1 4.5017(14) 5_565
Ba4 Ba4 4.6305(5) 1_554
Ba5 Se15 3.2188(7) 3
Ba5 Se15 3.2188(7) 3_554
Ba5 Se13 3.3040(13) 7_565
Ba5 Se13 3.3040(13) 7_566
Ba5 Se2 3.324(2) 4
Ba5 Se2 3.324(2) 7_665
Ba5 Se3 3.404(2) 8_665
Ba5 Se3 3.404(2) 3
Ba5 Se4 3.591(2) 6
Ba5 Se4 3.591(2) .
Ba5 Sb2 3.9943(12) 7_665
Ba5 Sb2 3.9943(12) 7_666
Ba6 Se6 3.3457(14) 7_665
Ba6 Se6 3.3457(14) 7_666
Ba6 Se7 3.3652(14) 7_666
Ba6 Se7 3.3651(14) 7_665
Ba6 Se14 3.3879(14) 7_565
Ba6 Se14 3.3879(14) 7_566
Ba6 Se4 3.391(2) .
Ba6 Se4 3.391(2) 6
Ba6 Sb62 3.56(6) 1_556
Ba6 Sb62 3.56(6) .
Ba6 Se18 3.800(4) 4
Ba6 Se18 3.800(4) 7_665
Sb1 Sb1 0.504(6) 6
Sb1 Se18 2.040(5) .
Sb1 Se18 2.488(4) 6
Sb1 Se10 2.567(2) .
Sb1 Se11 2.573(2) .
Sb1 Se18 2.575(4) 6_556
Sb1 Se18 3.044(5) 1_554
Sb1 Ba3 4.015(2) 7_666
Sb2 Se7 2.5583(19) .
Sb2 Se2 2.640(2) .
Sb2 Se2 2.640(2) 6
Sb2 Se4 2.674(2) 7_565
Sb2 Se4 2.674(2) 4_455
Sb2 Ba5 3.9944(12) 7_565
Sb2 Ba5 3.9944(12) 7_566
Sb3 Se13 2.5707(18) .
Sb3 Se1 2.626(3) 7_665
Sb3 Se1 2.626(3) 4
Sb3 Se4 2.772(2) 4
Sb3 Se4 2.772(2) 7_665
Sb3 Se1 3.051(3) 4_554
Sb3 Se1 3.051(3) 7_666
Sb41 Sb42 0.554(7) .
Sb41 Sb42 0.554(7) 6
Sb41 Se8 2.584(3) .
Sb41 Se12 2.795(4) .
Sb41 Se12 2.795(4) 6
Sb41 Se5 2.809(4) .
Sb41 Se5 2.809(4) 6
Sb41 Ba22 3.86(4) 5_565
Sb41 Ba22 3.93(4) 3_545
Sb41 Ba22 3.93(4) 3_544
Sb42 Sb42 1.108(15) 6
Sb42 Se12 2.397(7) .
Sb42 Se5 2.452(7) 6
Sb42 Se8 2.654(5) .
Sb42 Se12 2.739(7) 6_554
Sb42 Se5 2.821(7) 1_554
Sb42 Ba22 3.66(4) 3_544
Sb42 Ba22 3.88(4) 5_565
Sb51 Sb52 0.917(5) .
Sb51 Se3 2.599(2) .
Sb51 Se3 2.599(2) 6
Sb51 Se9 2.650(2) .
Sb51 Se2 2.783(2) 6
Sb51 Se2 2.783(2) .
Sb52 Se3 2.159(3) .
Sb52 Se3 2.160(3) 6
Sb52 Se9 2.581(5) .
Sb52 Se16 2.635(9) 3_544
Sb52 Se3 2.825(3) 1_554
Sb52 Se3 2.825(3) 6_556
Sb52 Ba1 3.933(4) 7_666
Sb52 Ba1 3.933(4) 7_665
Sb61 Sb61 0.546(6) 6_556
Sb61 Sb62 0.75(7) 1_556
Sb61 Se17 1.956(5) .
Sb61 Se17 2.454(4) 6_556
Sb61 Se17 2.511(5) 6
Sb61 Se6 2.578(3) 7_666
Sb61 Se14 2.631(3) 7_566
Sb61 Se17 3.027(5) 1_556
Sb62 Sb61 0.75(7) 1_554
Sb62 Sb61 0.75(7) 6
Sb62 Se14 2.08(6) 7_565
Sb62 Se6 2.27(5) 7_665
Sb62 Se17 2.54(4) 1_554
Sb62 Se17 2.54(4) 6
Sb62 Se17 3.04(4) .
Sb62 Se17 3.04(4) 6_554
Sb62 Ba6 3.56(6) 1_554
Sb71 Sb72 0.861(15) .
Sb72 Se12 2.485(15) 4_554
Sb72 Se12 2.485(15) 7_666
Sb72 Se5 2.820(10) .
Sb72 Se5 2.820(10) 6
Sb72 Ba22 4.00(5) 3_544
Sb72 Ba22 4.00(5) 3_545
Se1 Se1 0.521(6) 6
Se1 Sb3 2.626(3) 7_566
Se1 Sb3 3.051(3) 7_565
Se1 Ba4 3.482(2) 5_565
Se2 Se2 0.787(4) 6_556
Se2 Ba5 3.324(2) 7_566
Se2 Ba4 3.341(2) 3_545
Se3 Se3 0.717(4) 6_556
Se3 Sb52 2.825(3) 1_556
Se3 Ba1 3.351(2) 7_666
Se3 Ba1 3.399(2) 3_545
Se3 Ba5 3.404(2) 3_545
Se4 Se4 0.861(4) 6
Se4 Sb2 2.674(2) 7_666
Se4 Sb3 2.772(2) 7_566
Se5 Se5 0.552(7) 6_556
Se5 Sb42 2.452(7) 6
Se5 Ba22 2.47(5) 3_545
Se5 Sb42 2.821(7) 1_556
Se5 Ba21 3.296(3) 3_545
Se6 Sb62 2.27(5) 7_566
Se6 Sb61 2.578(3) 7_565
Se6 Sb61 2.578(3) 4_455
Se6 Ba6 3.3457(14) 7_565
Se6 Ba6 3.3457(14) 7_566
Se7 Ba6 3.3651(14) 7_565
Se7 Ba6 3.3651(14) 7_566
Se7 Ba4 3.4055(14) 3_545
Se7 Ba4 3.4055(14) 3_544
Se8 Sb42 2.654(5) 6
Se8 Ba21 3.3347(16) 3_545
Se8 Ba21 3.3347(16) 3_544
Se8 Ba22 3.38(3) 3_545
Se8 Ba22 3.38(3) 3_544
Se9 Ba1 3.2721(13) 7_666
Se9 Ba1 3.2721(13) 7_665
Se9 Ba4 3.2974(13) 3_545
Se9 Ba4 3.2974(13) 3_544
Se10 Sb1 2.567(2) 6
Se10 Ba4 3.3119(14) 3_544
Se10 Ba4 3.3119(14) 3_545
Se10 Ba3 3.3471(14) 7_666
Se10 Ba3 3.3471(14) 7_665
Se11 Sb1 2.573(2) 6
Se11 Ba21 3.3060(17) 3_545
Se11 Ba21 3.3060(17) 3_544
Se11 Ba3 3.3914(14) 7_665
Se11 Ba3 3.3914(14) 7_666
Se12 Se12 0.499(9) 6_554
Se12 Sb72 2.484(15) 7_565
Se12 Sb42 2.739(7) 6_554
Se12 Ba22 2.88(3) 5_565
Se12 Ba21 3.173(4) 5_565
Se12 Ba22 3.26(3) 5_564
Se12 Ba21 3.518(4) 5_564
Se13 Ba5 3.3041(13) 7_666
Se13 Ba5 3.3041(13) 7_665
Se13 Ba1 3.3042(13) 7_665
Se13 Ba1 3.3042(13) 7_666
Se14 Sb62 2.08(6) 7_666
Se14 Sb61 2.631(3) 4
Se14 Sb61 2.631(3) 7_665
Se14 Ba3 3.3316(14) 7_665
Se14 Ba3 3.3316(14) 7_666
Se14 Ba6 3.3879(14) 7_666
Se14 Ba6 3.3879(14) 7_665
Se15 Ba5 3.2187(7) 7_566
Se15 Ba5 3.2187(7) 3_544
Se15 Ba5 3.2187(7) 3_545
Se15 Ba5 3.2187(7) 7_565
Se16 Se16 0.648(13) 5_564
Se16 Sb52 2.636(9) 3_554
Se16 Ba1 3.265(10) 5_565
Se16 Ba1 3.265(10) 5_564
Se16 Ba1 3.314(10) 1_554
Se17 Se17 0.607(7) 6
Se17 Sb61 2.455(4) 6_556
Se17 Sb61 2.511(4) 6
Se17 Sb62 2.54(4) 1_556
Se17 Sb61 3.027(5) 1_554
Se18 Se18 0.598(8) 6_556
Se18 Sb1 2.488(4) 6
Se18 Sb1 2.575(4) 6_556
Se18 Sb1 3.044(5) 1_556
Se18 Ba6 3.800(4) 7_566
