#------------------------------------------------------------------------------
#$Date: 2017-01-24 08:30:31 +0200 (Tue, 24 Jan 2017) $
#$Revision: 190876 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/75/7227500.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_7227500
loop_
_publ_author_name
'Li, Yan-Yan'
'Wang, Jin-Qiu'
'Liu, Peng-Fei'
'Lin, Hua'
'Chen, Ling'
'Wu, Li-Ming'
_publ_section_title
;
 Centrosymmetric to noncentrosymmetric structural transformation of new
 quaternary selenides induced by isolated dimeric [Sn2Se4] units: from
 Ba8Ga2Sn7Se18 to Ba10Ga2Sn9Se22
;
_journal_issue                   14
_journal_name_full               'RSC Adv.'
_journal_page_first              8082
_journal_paper_doi               10.1039/C6RA27253C
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'Ba10 Ga2 Se22 Sn9'
_chemical_formula_weight         4318.17
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-01-13 deposited with the CCDC.
2017-01-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3844(11)
_cell_length_b                   44.834(6)
_cell_length_c                   12.4159(16)
_cell_measurement_reflns_used    7203
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5322
_cell_measurement_theta_min      2.2177
_cell_volume                     5223.9(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 27.50
_diffrn_measured_fraction_theta_max 27.50
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0613
_diffrn_reflns_av_sigmaI/netI    0.0718
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       56
_diffrn_reflns_limit_k_min       -57
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19296
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    27.957
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4835
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.491
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7280
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         1.989
_refine_diff_density_min         -2.128
_refine_diff_density_rms         0.414
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(3)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         6064
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0418
_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)+(0.0329P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0873
_refine_ls_wR_factor_ref         0.0897
_reflns_number_gt                5056
_reflns_number_total             6064
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra27253c2.cif
_cod_data_source_block           2-Ba10Ga2Sn9Se22
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_sg_symbol_H-M      Cmc2(1)
_cod_database_code               7227500
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, z+1/2'
'-x, y, z'
'x+1/2, y+1/2, z'
'-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'
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
Ba1 Ba 0.24605(9) 0.47676(2) 0.42605(8) 0.0143(2) Uani 1 1 d .
Ba2 Ba 0.24989(9) 0.08021(2) 0.40942(8) 0.0167(2) Uani 1 1 d .
Ba3 Ba 0.25029(9) 0.37902(2) 0.26907(7) 0.0159(2) Uani 1 1 d .
Ba4 Ba 0.24829(9) 0.17739(2) 0.24580(7) 0.01532(19) Uani 1 1 d .
Ba5 Ba 0.25421(9) 0.27662(2) 0.24078(8) 0.0131(2) Uani 1 1 d .
Ga1 Ga 0.0000 0.44367(5) 0.18526(18) 0.0134(5) Uani 1 2 d S
Ga2 Ga 0.0000 0.14825(5) 0.48810(17) 0.0146(5) Uani 1 2 d S
Sn1 Sn 0.0000 0.04288(7) 0.6547(3) 0.0254(7) Uani 0.50 2 d SP
Sn2 Sn 0.0000 0.52181(4) 0.16170(14) 0.0288(4) Uani 1 2 d S
Sn3 Sn 0.0000 0.09954(3) 0.06705(13) 0.0188(3) Uani 1 2 d S
Sn4 Sn 0.0000 0.02282(4) 0.19071(14) 0.0220(4) Uani 1 2 d S
Sn5 Sn 0.0000 0.33924(6) 0.0152(3) 0.0213(6) Uani 0.50 2 d SP
Sn6 Sn 0.0000 0.22773(4) 0.49978(13) 0.0288(4) Uani 1 2 d S
Sn7 Sn 0.0000 0.60281(3) 0.10540(13) 0.0190(3) Uani 1 2 d S
Sn8 Sn 0.0000 0.31937(3) 0.48935(11) 0.0165(3) Uani 1 2 d S
Sn9 Sn 0.0000 0.26750(3) -0.00001(12) 0.0175(3) Uani 1 2 d S
Sn10 Sn 0.0000 0.18288(3) 0.01099(12) 0.0242(3) Uani 1 2 d S
Se1 Se 0.20852(16) 0.47388(3) 0.15017(13) 0.0163(3) Uani 1 1 d .
Se2 Se 0.22039(15) 0.22819(3) 0.01424(13) 0.0132(3) Uani 1 1 d .
Se3 Se 0.21217(15) 0.06174(3) 0.15175(13) 0.0150(3) Uani 1 1 d .
Se4 Se 0.28605(14) 0.13963(3) 0.02350(12) 0.0150(3) Uani 1 1 d .
Se5 Se 0.29279(15) 0.32057(3) 0.01843(12) 0.0167(3) Uani 1 1 d .
Se6 Se 0.0000 0.22809(5) 0.29107(17) 0.0130(5) Uani 1 2 d S
Se7 Se 0.0000 0.62924(5) 0.30646(16) 0.0157(4) Uani 1 2 d S
Se8 Se 0.0000 0.17396(4) 0.80526(17) 0.0127(4) Uani 1 2 d S
Se9 Se 0.0000 0.72655(5) 0.29065(17) 0.0129(4) Uani 1 2 d S
Se10 Se 0.0000 0.07178(5) 0.86895(18) 0.0158(4) Uani 1 2 d S
Se11 Se 0.0000 0.10358(5) 0.59193(16) 0.0170(4) Uani 1 2 d S
Se12 Se 0.0000 0.42720(5) 0.37028(17) 0.0121(4) Uani 1 2 d S
Se13 Se 0.0000 0.12912(5) 0.30635(16) 0.0130(4) Uani 1 2 d S
Se14 Se 0.0000 0.52768(4) 0.36852(18) 0.0130(5) Uani 1 2 d S
Se15 Se 0.0000 0.02705(5) 0.4026(2) 0.0178(5) Uani 1 2 d S
Se16 Se 0.0000 0.39848(4) 0.08300(16) 0.0148(4) Uani 1 2 d S
Se17 Se 0.0000 0.32547(5) 0.27765(18) 0.0172(5) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ga Ga 0.2307 1.6083 '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'
Sn Sn -0.6537 1.4246 '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
Se12 Ba1 Se15 162.73(7) . 5
Se12 Ba1 Se10 90.93(5) . 6_554
Se15 Ba1 Se10 84.84(5) 5 6_554
Se12 Ba1 Se3 84.77(5) . 6
Se15 Ba1 Se3 110.22(5) 5 6
Se10 Ba1 Se3 75.70(5) 6_554 6
Se12 Ba1 Se14 86.04(4) . .
Se15 Ba1 Se14 90.78(5) 5 .
Se10 Ba1 Se14 155.11(7) 6_554 .
Se3 Ba1 Se14 128.42(5) 6 .
Se12 Ba1 Se1 72.10(5) . .
Se15 Ba1 Se1 90.68(5) 5 .
Se10 Ba1 Se1 80.54(5) 6_554 .
Se3 Ba1 Se1 146.40(5) 6 .
Se14 Ba1 Se1 75.00(5) . .
Se12 Ba1 Se1 120.99(5) . 3_565
Se15 Ba1 Se1 73.51(5) 5 3_565
Se10 Ba1 Se1 130.25(5) 6_554 3_565
Se3 Ba1 Se1 71.08(4) 6 3_565
Se14 Ba1 Se1 70.95(5) . 3_565
Se1 Ba1 Se1 141.95(4) . 3_565
Se12 Ba1 Sn2 74.99(5) . 2_565
Se15 Ba1 Sn2 120.39(6) 5 2_565
Se10 Ba1 Sn2 128.78(6) 6_554 2_565
Se3 Ba1 Sn2 54.45(4) 6 2_565
Se14 Ba1 Sn2 74.14(5) . 2_565
Se1 Ba1 Sn2 135.85(4) . 2_565
Se1 Ba1 Sn2 46.92(4) 3_565 2_565
Se12 Ba1 Sn4 125.98(5) . 6
Se15 Ba1 Sn4 69.12(5) 5 6
Se10 Ba1 Sn4 75.72(4) 6_554 6
Se3 Ba1 Sn4 41.28(3) 6 6
Se14 Ba1 Sn4 125.35(5) . 6
Se1 Ba1 Sn4 149.87(4) . 6
Se1 Ba1 Sn4 54.87(4) 3_565 6
Sn2 Ba1 Sn4 74.23(3) 2_565 6
Se12 Ba1 Ba1 45.23(3) . 4
Se15 Ba1 Ba1 136.35(3) 5 4
Se10 Ba1 Ba1 136.15(3) 6_554 4
Se3 Ba1 Ba1 96.79(3) 6 4
Se14 Ba1 Ba1 46.01(3) . 4
Se1 Ba1 Ba1 84.13(3) . 4
Se1 Ba1 Ba1 84.34(3) 3_565 4
Sn2 Ba1 Ba1 51.73(2) 2_565 4
Sn4 Ba1 Ba1 125.95(2) 6 4
Se12 Ba1 Ba2 132.33(4) . 8
Se15 Ba1 Ba2 46.08(3) 5 8
Se10 Ba1 Ba2 129.98(4) 6_554 8
Se3 Ba1 Ba2 123.84(4) 6 8
Se14 Ba1 Ba2 46.39(3) . 8
Se1 Ba1 Ba2 89.67(3) . 8
Se1 Ba1 Ba2 54.32(3) 3_565 8
Sn2 Ba1 Ba2 91.31(4) 2_565 8
Sn4 Ba1 Ba2 91.52(3) 6 8
Ba1 Ba1 Ba2 90.470(15) 4 8
Se12 Ba1 Ba1 134.77(3) . 4_655
Se15 Ba1 Ba1 43.65(3) 5 4_655
Se10 Ba1 Ba1 43.85(3) 6_554 4_655
Se3 Ba1 Ba1 83.21(3) 6 4_655
Se14 Ba1 Ba1 133.99(3) . 4_655
Se1 Ba1 Ba1 95.87(3) . 4_655
Se1 Ba1 Ba1 95.66(3) 3_565 4_655
Sn2 Ba1 Ba1 128.27(2) 2_565 4_655
Sn4 Ba1 Ba1 54.05(2) 6 4_655
Ba1 Ba1 Ba1 180.00(7) 4 4_655
Ba2 Ba1 Ba1 89.530(15) 8 4_655
Se3 Ba2 Se16 140.38(4) . 6
Se3 Ba2 Se15 73.94(5) . .
Se16 Ba2 Se15 135.70(6) 6 .
Se3 Ba2 Se14 75.79(5) . 5_545
Se16 Ba2 Se14 78.84(5) 6 5_545
Se15 Ba2 Se14 89.23(5) . 5_545
Se3 Ba2 Se11 129.80(4) . .
Se16 Ba2 Se11 88.09(5) 6 .
Se15 Ba2 Se11 75.80(5) . .
Se14 Ba2 Se11 142.36(6) 5_545 .
Se3 Ba2 Se13 74.30(5) . .
Se16 Ba2 Se13 122.44(5) 6 .
Se15 Ba2 Se13 88.11(5) . .
Se14 Ba2 Se13 149.52(6) 5_545 .
Se11 Ba2 Se13 65.56(5) . .
Se3 Ba2 Se7 82.81(5) . 5_545
Se16 Ba2 Se7 65.06(5) 6 5_545
Se15 Ba2 Se7 156.76(6) . 5_545
Se14 Ba2 Se7 85.16(5) 5_545 5_545
Se11 Ba2 Se7 120.96(5) . 5_545
Se13 Ba2 Se7 85.43(4) . 5_545
Se3 Ba2 Ba1 78.16(3) . 8_545
Se16 Ba2 Ba1 104.61(4) 6 8_545
Se15 Ba2 Ba1 45.17(3) . 8_545
Se14 Ba2 Ba1 45.70(3) 5_545 8_545
Se11 Ba2 Ba1 106.37(4) . 8_545
Se13 Ba2 Ba1 130.98(4) . 8_545
Se7 Ba2 Ba1 130.20(4) 5_545 8_545
Se3 Ba2 Ba2 83.89(3) . 4
Se16 Ba2 Ba2 134.88(3) 6 4
Se15 Ba2 Ba2 45.48(3) . 4
Se14 Ba2 Ba2 134.25(3) 5_545 4
Se11 Ba2 Ba2 46.79(3) . 4
Se13 Ba2 Ba2 47.27(3) . 4
Se7 Ba2 Ba2 132.71(3) 5_545 4
Ba1 Ba2 Ba2 90.470(15) 8_545 4
Se3 Ba2 Ba2 96.11(3) . 4_655
Se16 Ba2 Ba2 45.12(3) 6 4_655
Se15 Ba2 Ba2 134.52(3) . 4_655
Se14 Ba2 Ba2 45.75(3) 5_545 4_655
Se11 Ba2 Ba2 133.21(3) . 4_655
Se13 Ba2 Ba2 132.73(3) . 4_655
Se7 Ba2 Ba2 47.29(3) 5_545 4_655
Ba1 Ba2 Ba2 89.530(15) 8_545 4_655
Ba2 Ba2 Ba2 180.00(6) 4 4_655
Se3 Ba2 Ba4 79.55(3) . .
Se16 Ba2 Ba4 90.90(4) 6 .
Se15 Ba2 Ba4 129.27(4) . .
Se14 Ba2 Ba4 124.96(4) 5_545 .
Se11 Ba2 Ba4 90.01(4) . .
Se13 Ba2 Ba4 42.81(3) . .
Se7 Ba2 Ba4 43.14(3) 5_545 .
Ba1 Ba2 Ba4 157.55(3) 8_545 .
Ba2 Ba2 Ba4 89.820(14) 4 .
Ba2 Ba2 Ba4 90.180(14) 4_655 .
Se3 Ba2 Ba3 170.13(4) . 6
Se16 Ba2 Ba3 44.92(3) 6 6
Se15 Ba2 Ba3 107.05(5) . 6
Se14 Ba2 Ba3 113.91(4) 5_545 6
Se11 Ba2 Ba3 43.25(3) . 6
Se13 Ba2 Ba3 95.86(4) . 6
Se7 Ba2 Ba3 95.82(4) 5_545 6
Ba1 Ba2 Ba3 109.71(2) 8_545 6
Ba2 Ba2 Ba3 89.980(11) 4 6
Ba2 Ba2 Ba3 90.020(11) 4_655 6
Ba4 Ba2 Ba3 92.74(2) . 6
Se4 Ba3 Se11 140.62(4) 6 6_554
Se4 Ba3 Se17 73.45(5) 6 .
Se11 Ba3 Se17 133.22(6) 6_554 .
Se4 Ba3 Se8 76.37(5) 6 6_554
Se11 Ba3 Se8 76.23(5) 6_554 6_554
Se17 Ba3 Se8 88.75(4) . 6_554
Se4 Ba3 Se16 130.20(4) 6 .
Se11 Ba3 Se16 88.69(5) 6_554 .
Se17 Ba3 Se16 73.90(5) . .
Se8 Ba3 Se16 138.66(6) 6_554 .
Se4 Ba3 Se12 74.75(5) 6 .
Se11 Ba3 Se12 125.48(5) 6_554 .
Se17 Ba3 Se12 87.69(4) . .
Se8 Ba3 Se12 150.71(6) 6_554 .
Se16 Ba3 Se12 67.36(5) . .
Se4 Ba3 Se10 83.55(5) 6 6_554
Se11 Ba3 Se10 66.85(5) 6_554 6_554
Se17 Ba3 Se10 157.00(6) . 6_554
Se8 Ba3 Se10 86.01(5) 6_554 6_554
Se16 Ba3 Se10 123.24(5) . 6_554
Se12 Ba3 Se10 86.03(4) . 6_554
Se4 Ba3 Ga1 112.70(5) 6 .
Se11 Ba3 Ga1 94.27(4) 6_554 .
Se17 Ba3 Ga1 96.85(4) . .
Se8 Ba3 Ga1 170.38(5) 6_554 .
Se16 Ba3 Ga1 37.66(5) . .
Se12 Ba3 Ga1 37.98(5) . .
Se10 Ba3 Ga1 91.72(5) 6_554 .
Se4 Ba3 Ba5 79.65(3) 6 .
Se11 Ba3 Ba5 100.30(4) 6_554 .
Se17 Ba3 Ba5 45.22(3) . .
Se8 Ba3 Ba5 45.67(3) 6_554 .
Se16 Ba3 Ba5 102.07(4) . .
Se12 Ba3 Ba5 131.41(4) . .
Se10 Ba3 Ba5 131.28(4) 6_554 .
Ga1 Ba3 Ba5 136.93(4) . .
Se4 Ba3 Ba3 95.96(3) 6 4_655
Se11 Ba3 Ba3 44.88(3) 6_554 4_655
Se17 Ba3 Ba3 134.34(3) . 4_655
Se8 Ba3 Ba3 45.89(3) 6_554 4_655
Se16 Ba3 Ba3 133.56(3) . 4_655
Se12 Ba3 Ba3 133.22(3) . 4_655
Se10 Ba3 Ba3 47.20(3) 6_554 4_655
Ga1 Ba3 Ba3 127.33(2) . 4_655
Ba5 Ba3 Ba3 89.542(14) . 4_655
Se4 Ba3 Ba3 84.04(3) 6 4
Se11 Ba3 Ba3 135.12(3) 6_554 4
Se17 Ba3 Ba3 45.66(3) . 4
Se8 Ba3 Ba3 134.11(3) 6_554 4
Se16 Ba3 Ba3 46.44(3) . 4
Se12 Ba3 Ba3 46.78(3) . 4
Se10 Ba3 Ba3 132.80(3) 6_554 4
Ga1 Ba3 Ba3 52.67(2) . 4
Ba5 Ba3 Ba3 90.458(14) . 4
Ba3 Ba3 Ba3 180.00(7) 4_655 4
Se4 Ba3 Ba1 80.85(3) 6 .
Se11 Ba3 Ba1 93.47(4) 6_554 .
Se17 Ba3 Ba1 129.35(4) . .
Se8 Ba3 Ba1 126.60(4) 6_554 .
Se16 Ba3 Ba1 92.05(4) . .
Se12 Ba3 Ba1 43.11(3) . .
Se10 Ba3 Ba1 43.55(3) 6_554 .
Ga1 Ba3 Ba1 54.58(4) . .
Ba5 Ba3 Ba1 160.40(3) . .
Ba3 Ba3 Ba1 90.476(14) 4_655 .
Ba3 Ba3 Ba1 89.524(14) 4 .
Se4 Ba4 Se13 85.89(5) . .
Se4 Ba4 Se9 114.52(5) . 5_545
Se13 Ba4 Se9 156.92(6) . 5_545
Se4 Ba4 Se7 76.98(5) . 5_545
Se13 Ba4 Se7 91.42(5) . 5_545
Se9 Ba4 Se7 83.38(5) 5_545 5_545
Se4 Ba4 Se6 125.35(5) . .
Se13 Ba4 Se6 85.05(4) . .
Se9 Ba4 Se6 90.96(5) 5_545 .
Se7 Ba4 Se6 156.88(6) 5_545 .
Se4 Ba4 Se5 150.21(5) . 6
Se13 Ba4 Se5 73.06(5) . 6
Se9 Ba4 Se5 83.96(5) 5_545 6
Se7 Ba4 Se5 82.61(5) 5_545 6
Se6 Ba4 Se5 74.50(5) . 6
Se4 Ba4 Se2 70.56(4) . .
Se13 Ba4 Se2 122.64(5) . .
Se9 Ba4 Se2 76.57(5) 5_545 .
Se7 Ba4 Se2 129.57(5) 5_545 .
Se6 Ba4 Se2 69.91(5) . .
Se5 Ba4 Se2 138.75(4) 6 .
Se4 Ba4 Sn10 56.05(3) . .
Se13 Ba4 Sn10 77.21(4) . .
Se9 Ba4 Sn10 122.48(5) 5_545 .
Se7 Ba4 Sn10 132.02(5) 5_545 .
Se6 Ba4 Sn10 69.39(4) . .
Se5 Ba4 Sn10 134.58(4) 6 .
Se2 Ba4 Sn10 46.01(3) . .
Se4 Ba4 Sn8 43.46(3) . 6_554
Se13 Ba4 Sn8 129.31(5) . 6_554
Se9 Ba4 Sn8 71.50(4) 5_545 6_554
Se7 Ba4 Sn8 77.30(4) 5_545 6_554
Se6 Ba4 Sn8 122.09(5) . 6_554
Se5 Ba4 Sn8 149.71(4) 6 6_554
Se2 Ba4 Sn8 52.57(3) . 6_554
Sn10 Ba4 Sn8 75.10(3) . 6_554
Se4 Ba4 Ba5 120.42(4) . .
Se13 Ba4 Ba5 132.40(4) . .
Se9 Ba4 Ba5 47.25(3) 5_545 .
Se7 Ba4 Ba5 130.60(4) 5_545 .
Se6 Ba4 Ba5 47.40(3) . .
Se5 Ba4 Ba5 89.34(3) 6 .
Se2 Ba4 Ba5 51.00(3) . .
Sn10 Ba4 Ba5 86.05(3) . .
Sn8 Ba4 Ba5 86.83(3) 6_554 .
Se4 Ba4 Ba4 96.25(3) . 4
Se13 Ba4 Ba4 44.52(3) . 4
Se9 Ba4 Ba4 136.10(3) 5_545 4
Se7 Ba4 Ba4 135.94(3) 5_545 4
Se6 Ba4 Ba4 45.14(3) . 4
Se5 Ba4 Ba4 83.51(3) 6 4
Se2 Ba4 Ba4 85.92(3) . 4
Sn10 Ba4 Ba4 51.47(2) . 4
Sn8 Ba4 Ba4 126.543(19) 6_554 4
Ba5 Ba4 Ba4 90.716(16) . 4
Se4 Ba4 Ba4 83.75(3) . 4_655
Se13 Ba4 Ba4 135.48(3) . 4_655
Se9 Ba4 Ba4 43.90(3) 5_545 4_655
Se7 Ba4 Ba4 44.06(3) 5_545 4_655
Se6 Ba4 Ba4 134.86(3) . 4_655
Se5 Ba4 Ba4 96.49(3) 6 4_655
Se2 Ba4 Ba4 94.08(3) . 4_655
Sn10 Ba4 Ba4 128.53(2) . 4_655
Sn8 Ba4 Ba4 53.457(19) 6_554 4_655
Ba5 Ba4 Ba4 89.284(16) . 4_655
Ba4 Ba4 Ba4 180.00(6) 4 4_655
Se17 Ba5 Se9 160.99(6) . 5_545
Se17 Ba5 Se6 83.53(4) . .
Se9 Ba5 Se6 91.23(5) 5_545 .
Se17 Ba5 Se8 91.51(4) . 6_554
Se9 Ba5 Se8 85.53(4) 5_545 6_554
Se6 Ba5 Se8 154.96(6) . 6_554
Se17 Ba5 Se2 87.36(5) . 6
Se9 Ba5 Se2 73.71(5) 5_545 6
Se6 Ba5 Se2 79.62(5) . 6
Se8 Ba5 Se2 75.63(5) 6_554 6
Se17 Ba5 Se5 78.69(5) . .
Se9 Ba5 Se5 118.29(5) 5_545 .
Se6 Ba5 Se5 127.80(5) . .
Se8 Ba5 Se5 74.58(5) 6_554 .
Se2 Ba5 Se5 146.60(5) 6 .
Se17 Ba5 Se2 116.94(5) . .
Se9 Ba5 Se2 78.15(5) 5_545 .
Se6 Ba5 Se2 71.49(5) . .
Se8 Ba5 Se2 131.51(5) 6_554 .
Se2 Ba5 Se2 138.82(3) 6 .
Se5 Ba5 Se2 73.91(4) . .
Se17 Ba5 Sn6 126.15(5) . 6_554
Se9 Ba5 Sn6 71.64(4) 5_545 6_554
Se6 Ba5 Sn6 123.94(5) . 6_554
Se8 Ba5 Sn6 78.47(4) 6_554 6_554
Se2 Ba5 Sn6 137.86(4) 6 6_554
Se5 Ba5 Sn6 47.54(3) . 6_554
Se2 Ba5 Sn6 53.07(3) . 6_554
Se17 Ba5 Sn9 74.19(4) . .
Se9 Ba5 Sn9 120.69(5) 5_545 .
Se6 Ba5 Sn9 68.12(4) . .
Se8 Ba5 Sn9 133.95(5) 6_554 .
Se2 Ba5 Sn9 144.13(4) 6 .
Se5 Ba5 Sn9 59.88(4) . .
Se2 Ba5 Sn9 42.89(3) . .
Sn6 Ba5 Sn9 75.99(3) 6_554 .
Se17 Ba5 Ba4 131.18(4) . .
Se9 Ba5 Ba4 47.26(3) 5_545 .
Se6 Ba5 Ba4 47.68(3) . .
Se8 Ba5 Ba4 132.63(4) 6_554 .
Se2 Ba5 Ba4 85.62(3) 6 .
Se5 Ba5 Ba4 126.17(4) . .
Se2 Ba5 Ba4 53.23(3) . .
Sn6 Ba5 Ba4 88.12(3) 6_554 .
Sn9 Ba5 Ba4 84.08(3) . .
Se17 Ba5 Ba3 46.83(3) . .
Se9 Ba5 Ba3 132.39(4) 5_545 .
Se6 Ba5 Ba3 129.75(4) . .
Se8 Ba5 Ba3 46.93(3) 6_554 .
Se2 Ba5 Ba3 89.30(3) 6 .
Se5 Ba5 Ba3 59.11(3) . .
Se2 Ba5 Ba3 131.78(4) . .
Sn6 Ba5 Ba3 96.70(3) 6_554 .
Sn9 Ba5 Ba3 99.23(3) . .
Ba4 Ba5 Ba3 174.69(3) . .
Se17 Ba5 Ba5 136.84(3) . 4_655
Se9 Ba5 Ba5 45.28(3) 5_545 4_655
Se6 Ba5 Ba5 136.50(3) . 4_655
Se8 Ba5 Ba5 45.60(3) 6_554 4_655
Se2 Ba5 Ba5 85.99(3) 6 4_655
Se5 Ba5 Ba5 83.91(3) . 4_655
Se2 Ba5 Ba5 95.10(3) . 4_655
Sn6 Ba5 Ba5 52.43(2) 6_554 4_655
Sn9 Ba5 Ba5 128.33(2) . 4_655
Ba4 Ba5 Ba5 90.716(16) . 4_655
Ba3 Ba5 Ba5 90.458(14) . 4_655
Se16 Ga1 Se12 104.26(11) . .
Se16 Ga1 Se1 112.25(8) . .
Se12 Ga1 Se1 110.04(8) . .
Se16 Ga1 Se1 112.25(8) . 4
Se12 Ga1 Se1 110.04(8) . 4
Se1 Ga1 Se1 107.96(11) . 4
Se16 Ga1 Ba3 60.57(5) . 4
Se12 Ga1 Ba3 61.01(5) . 4
Se1 Ga1 Ba3 163.30(7) . 4
Se1 Ga1 Ba3 88.67(4) 4 4
Se16 Ga1 Ba3 60.57(5) . .
Se12 Ga1 Ba3 61.00(5) . .
Se1 Ga1 Ba3 88.67(4) . .
Se1 Ga1 Ba3 163.30(7) 4 .
Ba3 Ga1 Ba3 74.66(5) 4 .
Se11 Ga2 Se13 101.95(10) . .
Se11 Ga2 Se5 113.62(7) . 6
Se13 Ga2 Se5 110.49(7) . 6
Se11 Ga2 Se5 113.62(7) . 7_455
Se13 Ga2 Se5 110.49(7) . 7_455
Se5 Ga2 Se5 106.67(11) 6 7_455
Se11 Sn1 Se1 104.43(7) . 7_455
Se11 Sn1 Se1 104.43(7) . 6
Se1 Sn1 Se1 149.21(14) 7_455 6
Se11 Sn1 Se10 80.00(10) . .
Se1 Sn1 Se10 97.68(8) 7_455 .
Se1 Sn1 Se10 97.68(8) 6 .
Se11 Sn1 Sn4 172.67(14) . 2
Se1 Sn1 Sn4 75.00(7) 7_455 2
Se1 Sn1 Sn4 75.00(7) 6 2
Se10 Sn1 Sn4 107.33(11) . 2
Se14 Sn2 Se1 97.13(6) . 4
Se14 Sn2 Se1 97.13(6) . .
Se1 Sn2 Se1 84.51(7) 4 .
Se14 Sn2 Ba1 141.17(3) . 2_564
Se1 Sn2 Ba1 63.74(4) 4 2_564
Se1 Sn2 Ba1 112.99(6) . 2_564
Se14 Sn2 Ba1 141.17(3) . 3_564
Se1 Sn2 Ba1 112.99(6) 4 3_564
Se1 Sn2 Ba1 63.74(4) . 3_564
Ba1 Sn2 Ba1 76.55(5) 2_564 3_564
Se10 Sn3 Se3 93.52(6) 1_554 .
Se10 Sn3 Se3 93.52(6) 1_554 4
Se3 Sn3 Se3 89.90(7) . 4
Se15 Sn4 Se3 97.62(6) . .
Se15 Sn4 Se3 97.62(6) . 4
Se3 Sn4 Se3 95.43(8) . 4
Se15 Sn4 Sn1 102.76(9) . 2_554
Se3 Sn4 Sn1 127.88(5) . 2_554
Se3 Sn4 Sn1 127.88(5) 4 2_554
Se15 Sn4 Ba1 143.81(2) . 7_454
Se3 Sn4 Ba1 106.61(6) . 7_454
Se3 Sn4 Ba1 54.35(4) 4 7_454
Sn1 Sn4 Ba1 83.28(6) 2_554 7_454
Se15 Sn4 Ba1 143.81(2) . 6_554
Se3 Sn4 Ba1 54.35(4) . 6_554
Se3 Sn4 Ba1 106.61(6) 4 6_554
Sn1 Sn4 Ba1 83.28(6) 2_554 6_554
Ba1 Sn4 Ba1 71.90(4) 7_454 6_554
Se16 Sn5 Se5 105.87(6) . 4
Se16 Sn5 Se5 105.87(6) . .
Se5 Sn5 Se5 146.09(12) 4 .
Se16 Sn5 Se7 78.98(9) . 2_564
Se5 Sn5 Se7 98.73(7) 4 2_564
Se5 Sn5 Se7 98.73(7) . 2_564
Se16 Sn5 Sn9 165.77(13) . .
Se5 Sn5 Sn9 73.14(6) 4 .
Se5 Sn5 Sn9 73.14(6) . .
Se7 Sn5 Sn9 115.25(11) 2_564 .
Se6 Sn6 Se5 94.81(6) . 7_455
Se6 Sn6 Se5 94.81(6) . 6
Se5 Sn6 Se5 83.52(7) 7_455 6
Se6 Sn6 Ba5 142.30(2) . 6
Se5 Sn6 Ba5 107.76(6) 7_455 6
Se5 Sn6 Ba5 59.53(4) 6 6
Se6 Sn6 Ba5 142.30(2) . 7_455
Se5 Sn6 Ba5 59.53(4) 7_455 7_455
Se5 Sn6 Ba5 107.76(6) 6 7_455
Ba5 Sn6 Ba5 75.14(4) 6 7_455
Se7 Sn7 Se4 94.32(6) . 5_455
Se7 Sn7 Se4 94.32(6) . 8
Se4 Sn7 Se4 92.00(7) 5_455 8
Se17 Sn8 Se4 94.82(6) . 6
Se17 Sn8 Se4 94.82(6) . 7_455
Se4 Sn8 Se4 93.57(7) 6 7_455
Se17 Sn8 Ba4 142.61(2) . 6
Se4 Sn8 Ba4 54.41(4) 6 6
Se4 Sn8 Ba4 106.62(5) 7_455 6
Se17 Sn8 Ba4 142.61(2) . 7_455
Se4 Sn8 Ba4 106.62(5) 6 7_455
Se4 Sn8 Ba4 54.41(4) 7_455 7_455
Ba4 Sn8 Ba4 73.09(4) 6 7_455
Se9 Sn9 Se2 97.51(6) 2_564 4
Se9 Sn9 Se2 97.51(6) 2_564 .
Se2 Sn9 Se2 98.86(8) 4 .
Se9 Sn9 Sn5 87.49(9) 2_564 .
Se2 Sn9 Sn5 129.96(4) 4 .
Se2 Sn9 Sn5 129.96(4) . .
Se9 Sn9 Ba5 139.66(3) 2_564 .
Se2 Sn9 Ba5 119.30(6) 4 .
Se2 Sn9 Ba5 63.08(4) . .
Sn5 Sn9 Ba5 81.28(6) . .
Se9 Sn9 Ba5 139.66(3) 2_564 4
Se2 Sn9 Ba5 63.08(4) 4 4
Se2 Sn9 Ba5 119.30(6) . 4
Sn5 Sn9 Ba5 81.28(6) . 4
Ba5 Sn9 Ba5 76.66(4) . 4
Se8 Sn10 Se2 97.01(6) 1_554 .
Se8 Sn10 Se2 97.01(6) 1_554 4
Se2 Sn10 Se2 91.01(7) . 4
Se8 Sn10 Ba4 139.46(3) 1_554 .
Se2 Sn10 Ba4 65.85(4) . .
Se2 Sn10 Ba4 118.66(6) 4 .
Se8 Sn10 Ba4 139.46(3) 1_554 4
Se2 Sn10 Ba4 118.66(6) . 4
Se2 Sn10 Ba4 65.85(4) 4 4
Ba4 Sn10 Ba4 77.07(4) . 4
Ga1 Se1 Sn1 128.90(9) . 6_554
Ga1 Se1 Sn2 81.99(7) . .
Sn1 Se1 Sn2 147.45(8) 6_554 .
Ga1 Se1 Ba1 85.68(7) . .
Sn1 Se1 Ba1 83.79(8) 6_554 .
Sn2 Se1 Ba1 89.55(5) . .
Ga1 Se1 Ba1 124.52(7) . 3_564
Sn1 Se1 Ba1 94.83(8) 6_554 3_564
Sn2 Se1 Ba1 69.34(5) . 3_564
Ba1 Se1 Ba1 137.81(5) . 3_564
Sn9 Se2 Sn10 84.88(5) . .
Sn9 Se2 Ba5 91.68(6) . 6_554
Sn10 Se2 Ba5 89.52(5) . 6_554
Sn9 Se2 Ba5 74.03(5) . .
Sn10 Se2 Ba5 120.06(6) . .
Ba5 Se2 Ba5 144.81(5) 6_554 .
Sn9 Se2 Ba4 120.38(6) . .
Sn10 Se2 Ba4 68.14(4) . .
Ba5 Se2 Ba4 137.24(5) 6_554 .
Ba5 Se2 Ba4 75.77(4) . .
Sn4 Se3 Sn3 86.23(5) . .
Sn4 Se3 Ba1 84.36(5) . 6_554
Sn3 Se3 Ba1 94.66(5) . 6_554
Sn4 Se3 Ba2 93.86(6) . .
Sn3 Se3 Ba2 106.54(6) . .
Ba1 Se3 Ba2 158.58(5) 6_554 .
Sn8 Se4 Sn7 85.78(5) 6_554 5_545
Sn8 Se4 Ba4 82.12(5) 6_554 .
Sn7 Se4 Ba4 94.42(5) 5_545 .
Sn8 Se4 Ba3 95.59(5) 6_554 6_554
Sn7 Se4 Ba3 105.92(6) 5_545 6_554
Ba4 Se4 Ba3 159.35(5) . 6_554
Ga2 Se5 Sn5 126.67(9) 6_554 .
Ga2 Se5 Sn6 83.17(6) 6_554 6_554
Sn5 Se5 Sn6 148.43(8) . 6_554
Ga2 Se5 Ba4 85.47(7) 6_554 6_554
Sn5 Se5 Ba4 82.53(8) . 6_554
Sn6 Se5 Ba4 90.94(5) 6_554 6_554
Ga2 Se5 Ba5 122.95(7) 6_554 .
Sn5 Se5 Ba5 94.48(7) . .
Sn6 Se5 Ba5 72.92(4) 6_554 .
Ba4 Se5 Ba5 143.84(5) 6_554 .
Sn6 Se6 Ba5 101.18(6) . .
Sn6 Se6 Ba5 101.18(6) . 4
Ba5 Se6 Ba5 93.01(6) . 4
Sn6 Se6 Ba4 99.55(6) . 4
Ba5 Se6 Ba4 159.17(8) . 4
Ba5 Se6 Ba4 84.91(3) 4 4
Sn6 Se6 Ba4 99.55(6) . .
Ba5 Se6 Ba4 84.91(3) . .
Ba5 Se6 Ba4 159.17(8) 4 .
Ba4 Se6 Ba4 89.71(6) 4 .
Sn7 Se7 Sn5 176.79(10) . 2_565
Sn7 Se7 Ba4 94.28(5) . 8
Sn5 Se7 Ba4 83.50(6) 2_565 8
Sn7 Se7 Ba4 94.28(5) . 5_455
Sn5 Se7 Ba4 83.50(6) 2_565 5_455
Ba4 Se7 Ba4 91.87(6) 8 5_455
Sn7 Se7 Ba2 93.51(6) . 5_455
Sn5 Se7 Ba2 88.85(6) 2_565 5_455
Ba4 Se7 Ba2 171.54(7) 8 5_455
Ba4 Se7 Ba2 90.83(2) 5_455 5_455
Sn7 Se7 Ba2 93.51(6) . 8
Sn5 Se7 Ba2 88.85(6) 2_565 8
Ba4 Se7 Ba2 90.83(2) 8 8
Ba4 Se7 Ba2 171.54(7) 5_455 8
Ba2 Se7 Ba2 85.41(6) 5_455 8
Sn10 Se8 Ba5 97.82(6) 1_556 6
Sn10 Se8 Ba5 97.82(6) 1_556 7_455
Ba5 Se8 Ba5 88.79(6) 6 7_455
Sn10 Se8 Ba3 103.94(6) 1_556 7_455
Ba5 Se8 Ba3 158.22(8) 6 7_455
Ba5 Se8 Ba3 87.41(3) 7_455 7_455
Sn10 Se8 Ba3 103.94(6) 1_556 6
Ba5 Se8 Ba3 87.41(3) 6 6
Ba5 Se8 Ba3 158.22(8) 7_455 6
Ba3 Se8 Ba3 88.22(6) 7_455 6
Sn9 Se9 Ba5 96.77(6) 2_565 8
Sn9 Se9 Ba5 96.77(6) 2_565 5_455
Ba5 Se9 Ba5 89.45(6) 8 5_455
Sn9 Se9 Ba4 103.75(6) 2_565 5_455
Ba5 Se9 Ba4 159.30(8) 8 5_455
Ba5 Se9 Ba4 85.49(3) 5_455 5_455
Sn9 Se9 Ba4 103.75(6) 2_565 8
Ba5 Se9 Ba4 85.49(3) 8 8
Ba5 Se9 Ba4 159.30(8) 5_455 8
Ba4 Se9 Ba4 92.20(6) 5_455 8
Sn3 Se10 Sn1 179.13(11) 1_556 .
Sn3 Se10 Ba1 96.08(6) 1_556 7_455
Sn1 Se10 Ba1 84.52(7) . 7_455
Sn3 Se10 Ba1 96.08(6) 1_556 6
Sn1 Se10 Ba1 84.52(7) . 6
Ba1 Se10 Ba1 92.31(7) 7_455 6
Sn3 Se10 Ba3 91.84(6) 1_556 6
Sn1 Se10 Ba3 87.52(7) . 6
Ba1 Se10 Ba3 171.27(8) 7_455 6
Ba1 Se10 Ba3 90.48(2) 6 6
Sn3 Se10 Ba3 91.84(6) 1_556 7_455
Sn1 Se10 Ba3 87.52(7) . 7_455
Ba1 Se10 Ba3 90.48(2) 7_455 7_455
Ba1 Se10 Ba3 171.27(8) 6 7_455
Ba3 Se10 Ba3 85.60(6) 6 7_455
Ga2 Se11 Sn1 163.20(13) . .
Ga2 Se11 Ba3 99.30(7) . 6
Sn1 Se11 Ba3 92.51(7) . 6
Ga2 Se11 Ba3 99.30(7) . 7_455
Sn1 Se11 Ba3 92.51(7) . 7_455
Ba3 Se11 Ba3 90.24(6) 6 7_455
Ga2 Se11 Ba2 84.21(6) . 4
Sn1 Se11 Ba2 83.56(7) . 4
Ba3 Se11 Ba2 175.75(7) 6 4
Ba3 Se11 Ba2 91.55(2) 7_455 4
Ga2 Se11 Ba2 84.21(6) . .
Sn1 Se11 Ba2 83.56(7) . .
Ba3 Se11 Ba2 91.55(2) 6 .
Ba3 Se11 Ba2 175.75(7) 7_455 .
Ba2 Se11 Ba2 86.41(5) 4 .
Ga1 Se12 Ba1 89.64(7) . .
Ga1 Se12 Ba1 89.64(7) . 4
Ba1 Se12 Ba1 89.55(6) . 4
Ga1 Se12 Ba3 81.02(6) . 4
Ba1 Se12 Ba3 170.62(7) . 4
Ba1 Se12 Ba3 91.26(3) 4 4
Ga1 Se12 Ba3 81.02(6) . .
Ba1 Se12 Ba3 91.26(3) . .
Ba1 Se12 Ba3 170.62(7) 4 .
Ba3 Se12 Ba3 86.45(6) 4 .
Ga2 Se13 Ba4 88.83(6) . .
Ga2 Se13 Ba4 88.83(6) . 4
Ba4 Se13 Ba4 90.97(6) . 4
Ga2 Se13 Ba2 83.07(6) . .
Ba4 Se13 Ba2 91.24(2) . .
Ba4 Se13 Ba2 171.57(7) 4 .
Ga2 Se13 Ba2 83.07(6) . 4
Ba4 Se13 Ba2 171.57(7) . 4
Ba4 Se13 Ba2 91.24(2) 4 4
Ba2 Se13 Ba2 85.46(6) . 4
Sn2 Se14 Ba1 98.26(6) . 4
Sn2 Se14 Ba1 98.26(6) . .
Ba1 Se14 Ba1 87.98(6) 4 .
Sn2 Se14 Ba2 102.80(6) . 8
Ba1 Se14 Ba2 158.91(8) 4 8
Ba1 Se14 Ba2 87.92(3) . 8
Sn2 Se14 Ba2 102.80(6) . 5_455
Ba1 Se14 Ba2 87.92(3) 4 5_455
Ba1 Se14 Ba2 158.91(8) . 5_455
Ba2 Se14 Ba2 88.51(6) 8 5_455
Sn4 Se15 Ba1 92.23(6) . 5_445
Sn4 Se15 Ba1 92.23(6) . 8_545
Ba1 Se15 Ba1 92.71(6) 5_445 8_545
Sn4 Se15 Ba2 94.39(6) . .
Ba1 Se15 Ba2 173.16(9) 5_445 .
Ba1 Se15 Ba2 88.75(2) 8_545 .
Sn4 Se15 Ba2 94.39(6) . 4
Ba1 Se15 Ba2 88.75(2) 5_445 4
Ba1 Se15 Ba2 173.16(9) 8_545 4
Ba2 Se15 Ba2 89.04(6) . 4
Ga1 Se16 Sn5 165.51(12) . .
Ga1 Se16 Ba2 95.78(6) . 7_454
Sn5 Se16 Ba2 94.47(7) . 7_454
Ga1 Se16 Ba2 95.78(6) . 6_554
Sn5 Se16 Ba2 94.47(7) . 6_554
Ba2 Se16 Ba2 89.75(6) 7_454 6_554
Ga1 Se16 Ba3 81.78(6) . .
Sn5 Se16 Ba3 87.75(7) . .
Ba2 Se16 Ba3 177.35(7) 7_454 .
Ba2 Se16 Ba3 91.51(2) 6_554 .
Ga1 Se16 Ba3 81.78(6) . 4
Sn5 Se16 Ba3 87.75(7) . 4
Ba2 Se16 Ba3 91.51(2) 7_454 4
Ba2 Se16 Ba3 177.35(7) 6_554 4
Ba3 Se16 Ba3 87.13(5) . 4
Sn8 Se17 Ba5 94.01(6) . 4
Sn8 Se17 Ba5 94.01(6) . .
Ba5 Se17 Ba5 93.67(6) 4 .
Sn8 Se17 Ba3 96.05(6) . .
Ba5 Se17 Ba3 169.67(8) 4 .
Ba5 Se17 Ba3 87.95(2) . .
Sn8 Se17 Ba3 96.05(6) . 4
Ba5 Se17 Ba3 87.95(2) 4 4
Ba5 Se17 Ba3 169.67(8) . 4
Ba3 Se17 Ba3 88.69(6) . 4
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 Se12 3.2784(18) .
Ba1 Se15 3.2935(17) 5
Ba1 Se10 3.3045(18) 6_554
Ba1 Se3 3.3146(19) 6
Ba1 Se14 3.3246(17) .
Ba1 Se1 3.446(2) .
Ba1 Se1 3.5727(19) 3_565
Ba1 Sn2 3.7277(18) 2_565
Ba1 Sn4 4.0593(18) 6
Ba1 Ba1 4.6180(18) 4
Ba1 Ba2 4.6426(15) 8
Ba1 Ba1 4.7664(18) 4_655
Ba2 Se3 3.3236(19) .
Ba2 Se16 3.3265(16) 6
Ba2 Se15 3.3447(18) .
Ba2 Se14 3.3635(17) 5_545
Ba2 Se11 3.4253(17) .
Ba2 Se13 3.4562(18) .
Ba2 Se7 3.4606(18) 5_545
Ba2 Ba1 4.6426(15) 8_545
Ba2 Ba2 4.6902(17) 4
Ba2 Ba2 4.6942(17) 4_655
Ba2 Ba4 4.8073(14) .
Ba2 Ba3 4.8251(12) 6
Ba3 Se4 3.2855(18) 6
Ba3 Se11 3.3071(16) 6_554
Ba3 Se17 3.3604(17) .
Ba3 Se8 3.3669(16) 6_554
Ba3 Se16 3.4082(16) .
Ba3 Se12 3.4297(18) .
Ba3 Se10 3.4489(19) 6_554
Ba3 Ga1 3.873(2) .
Ba3 Ba5 4.6045(14) .
Ba3 Ba3 4.6868(17) 4_655
Ba3 Ba3 4.6976(17) 4
Ba4 Se4 3.2571(18) .
Ba4 Se13 3.2677(17) .
Ba4 Se9 3.2783(17) 5_545
Ba4 Se7 3.2874(17) 5_545
Ba4 Se6 3.3034(18) .
Ba4 Se5 3.4080(19) 6
Ba4 Se2 3.6773(19) .
Ba4 Sn10 3.7401(16) .
Ba4 Sn8 3.9672(16) 6_554
Ba4 Ba5 4.4498(13) .
Ba4 Ba4 4.6601(18) 4
Ba4 Ba4 4.7243(18) 4_655
Ba5 Se17 3.2707(16) .
Ba5 Se9 3.2778(18) 5_545
Ba5 Se6 3.2886(17) .
Ba5 Se8 3.2970(17) 6_554
Ba5 Se2 3.410(2) 6
Ba5 Se5 3.4112(18) .
Ba5 Se2 3.5674(19) .
Ba5 Sn6 3.7831(16) 6_554
Ba5 Sn9 3.8466(15) .
Ba5 Ba5 4.6132(17) 4_655
Ga1 Se16 2.391(3) .
Ga1 Se12 2.413(3) .
Ga1 Se1 2.419(2) .
Ga1 Se1 2.419(2) 4
Ga1 Ba3 3.873(2) 4
Ga2 Se11 2.382(3) .
Ga2 Se13 2.414(3) .
Ga2 Se5 2.4242(19) 6
Ga2 Se5 2.4242(19) 7_455
Sn1 Se11 2.831(4) .
Sn1 Se1 2.8372(18) 7_455
Sn1 Se1 2.8372(17) 6
Sn1 Se10 2.959(4) .
Sn1 Sn4 2.979(3) 2
Sn2 Se14 2.581(3) .
Sn2 Se1 2.910(2) 4
Sn2 Se1 2.910(2) .
Sn2 Ba1 3.7277(18) 2_564
Sn2 Ba1 3.7277(18) 3_564
Sn3 Se10 2.756(3) 1_554
Sn3 Se3 2.8183(18) .
Sn3 Se3 2.8183(18) 4
Sn4 Se15 2.638(3) .
Sn4 Se3 2.6913(18) .
Sn4 Se3 2.6913(18) 4
Sn4 Sn1 2.979(3) 2_554
Sn4 Ba1 4.0593(18) 7_454
Sn4 Ba1 4.0593(18) 6_554
Sn5 Se16 2.787(3) .
Sn5 Se5 2.8725(16) 4
Sn5 Se5 2.8725(16) .
Sn5 Se7 2.952(4) 2_564
Sn5 Sn9 3.222(3) .
Sn6 Se6 2.591(3) .
Sn6 Se5 2.9198(18) 7_455
Sn6 Se5 2.9198(18) 6
Sn6 Ba5 3.7831(16) 6
Sn6 Ba5 3.7831(16) 7_455
Sn7 Se7 2.763(3) .
Sn7 Se4 2.7913(18) 5_455
Sn7 Se4 2.7913(18) 8
Sn8 Se17 2.643(3) .
Sn8 Se4 2.7550(17) 6
Sn8 Se4 2.7550(17) 7_455
Sn8 Ba4 3.9672(16) 6
Sn8 Ba4 3.9672(16) 7_455
Sn9 Se9 2.613(3) 2_564
Sn9 Se2 2.7229(18) 4
Sn9 Se2 2.7229(18) .
Sn9 Ba5 3.8466(15) 4
Sn10 Se8 2.585(3) 1_554
Sn10 Se2 2.8995(18) .
Sn10 Se2 2.8995(18) 4
Sn10 Ba4 3.7401(16) 4
Se1 Sn1 2.8372(18) 6_554
Se1 Ba1 3.5727(19) 3_564
Se2 Ba5 3.410(2) 6_554
Se3 Ba1 3.3146(19) 6_554
Se4 Sn8 2.7550(17) 6_554
Se4 Sn7 2.7913(18) 5_545
Se4 Ba3 3.2855(18) 6_554
Se5 Ga2 2.4242(19) 6_554
Se5 Sn6 2.9198(18) 6_554
Se5 Ba4 3.4080(19) 6_554
Se6 Ba5 3.2886(17) 4
Se6 Ba4 3.3034(18) 4
Se7 Sn5 2.952(4) 2_565
Se7 Ba4 3.2874(17) 8
Se7 Ba4 3.2874(17) 5_455
Se7 Ba2 3.4606(18) 5_455
Se7 Ba2 3.4606(18) 8
Se8 Sn10 2.585(3) 1_556
Se8 Ba5 3.2970(17) 6
Se8 Ba5 3.2970(17) 7_455
Se8 Ba3 3.3669(16) 7_455
Se8 Ba3 3.3669(16) 6
Se9 Sn9 2.613(3) 2_565
Se9 Ba5 3.2778(18) 8
Se9 Ba5 3.2778(18) 5_455
Se9 Ba4 3.2783(17) 5_455
Se9 Ba4 3.2783(17) 8
Se10 Sn3 2.756(3) 1_556
Se10 Ba1 3.3045(18) 7_455
Se10 Ba1 3.3045(18) 6
Se10 Ba3 3.4489(19) 6
Se10 Ba3 3.4489(19) 7_455
Se11 Ba3 3.3071(16) 6
Se11 Ba3 3.3071(16) 7_455
Se11 Ba2 3.4253(17) 4
Se12 Ba1 3.2784(18) 4
Se12 Ba3 3.4297(18) 4
Se13 Ba4 3.2677(17) 4
Se13 Ba2 3.4562(18) 4
Se14 Ba1 3.3246(18) 4
Se14 Ba2 3.3635(17) 8
Se14 Ba2 3.3635(17) 5_455
Se15 Ba1 3.2935(17) 5_445
Se15 Ba1 3.2935(17) 8_545
Se15 Ba2 3.3447(18) 4
Se16 Ba2 3.3265(16) 7_454
Se16 Ba2 3.3265(16) 6_554
Se16 Ba3 3.4082(16) 4
Se17 Ba5 3.2707(16) 4
Se17 Ba3 3.3604(17) 4
