#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/39/4323978.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_4323978
loop_
_publ_author_name
'Robert Lam'
'Arthur Mar'
_publ_section_title
;
 Synthesis and Structure of Ba2Sn3Sb6, a Zintl Phase Containing Channels
 and Chains
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6959
_journal_page_last               6963
_journal_paper_doi               10.1021/ic960716o
_journal_volume                  35
_journal_year                    1996
_chemical_compound_source        'Rxn. of BaO, La, Sb, Sn at 900 C'
_chemical_formula_analytical     'Ba1.6(2) Sn3.0(2) Sb6.1(3)'
_chemical_formula_sum            'Ba2 Sb6 Sn3'
_chemical_formula_weight         1361.25
_chemical_name_common            'Barium tin antimonide'
_chemical_name_systematic        'Dibarium hexaantimonidotristannate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.3510(13)
_cell_length_b                   4.4100(5)
_cell_length_c                   24.449(3)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      16
_cell_measurement_theta_min      10
_cell_volume                     1439.5(3)
_computing_cell_refinement       'CAD4/PC (Enraf-Nonius)'
_computing_data_collection       'CAD4/PC (Enraf-Nonius)'
_computing_data_reduction        XCAD4
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      223(2)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       'theta-two theta'
_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  0.1913
_diffrn_reflns_av_sigmaI/netI    0.1282
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4949
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.67
_diffrn_standards_interval_time  '7200 s'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    21.494
_exptl_absorpt_correction_T_max  0.780
_exptl_absorpt_correction_T_min  0.666
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Silver
_exptl_crystal_density_diffrn    6.281
_exptl_crystal_description       Needle
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.488
_exptl_crystal_size_mid          0.016
_exptl_crystal_size_min          0.012
_refine_diff_density_max         3.237
_refine_diff_density_min         -2.388
_refine_diff_density_rms         0.629
_refine_ls_extinction_coef       0.00003(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.015
_refine_ls_goodness_of_fit_obs   1.084
_refine_ls_matrix_type           full
_refine_ls_number_parameters     68
_refine_ls_number_reflns         1443
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_restrained_S_obs      1.084
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_obs          0.0562
_refine_ls_shift/esd_max         0.005
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0042P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1050
_refine_ls_wR_factor_obs         0.0903
_reflns_number_observed          977
_reflns_number_total             1448
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic960716o.cif
_cod_data_source_block           pnma
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0042P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0042P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'Ba2 Sn3 Sb6'
_cod_database_code               4323978
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ba1 Ba 0.13123(14) 0.2500 0.10924(8) 0.0104(5) Uani 1 d S .
Ba2 Ba 0.04841(15) 0.2500 0.42043(8) 0.0113(5) Uani 1 d S .
Sn1 Sn 0.0417(2) 0.2500 0.24939(9) 0.0104(5) Uani 1 d S .
Sn2 Sn 0.1948(2) 0.2500 0.76595(9) 0.0109(5) Uani 1 d S .
Sn3 Sn 0.3205(2) 0.2500 0.40239(10) 0.0135(5) Uani 1 d S .
Sb1 Sb 0.1609(2) 0.2500 0.57758(9) 0.0123(5) Uani 1 d S .
Sb2 Sb 0.3017(2) 0.2500 0.00171(9) 0.0132(5) Uani 1 d S .
Sb3 Sb 0.3487(2) 0.2500 0.19674(9) 0.0120(5) Uani 1 d S .
Sb4 Sb 0.3838(2) 0.2500 0.81486(9) 0.0119(5) Uani 1 d S .
Sb5 Sb 0.4297(2) 0.2500 0.50378(9) 0.0124(5) Uani 1 d S .
Sb6 Sb 0.5653(2) 0.2500 0.64425(9) 0.0116(5) Uani 1 d S .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Sn Sn -0.6537 1.4246 '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
_geom_angle_publ_flag
Sb2 Ba1 Sb5 66.03(6) . 2_554 ?
Sb2 Ba1 Sb5 66.03(6) . 2_564 ?
Sb5 Ba1 Sb5 78.40(6) 2_554 2_564 ?
Sb2 Ba1 Sb6 132.02(5) . 2_554 ?
Sb5 Ba1 Sb6 67.14(5) 2_554 2_554 ?
Sb5 Ba1 Sb6 113.60(7) 2_564 2_554 ?
Sb2 Ba1 Sb6 132.02(5) . 2_564 ?
Sb5 Ba1 Sb6 113.60(7) 2_554 2_564 ?
Sb5 Ba1 Sb6 67.14(5) 2_564 2_564 ?
Sb6 Ba1 Sb6 77.24(6) 2_554 2_564 ?
Sb2 Ba1 Sb3 85.49(7) . . ?
Sb5 Ba1 Sb3 128.75(5) 2_554 . ?
Sb5 Ba1 Sb3 128.75(5) 2_564 . ?
Sb6 Ba1 Sb3 117.03(6) 2_554 . ?
Sb6 Ba1 Sb3 117.03(6) 2_564 . ?
Sb2 Ba1 Sb1 48.55(5) . 2_564 ?
Sb5 Ba1 Sb1 113.87(7) 2_554 2_564 ?
Sb5 Ba1 Sb1 68.69(5) 2_564 2_564 ?
Sb6 Ba1 Sb1 177.71(7) 2_554 2_564 ?
Sb6 Ba1 Sb1 103.92(3) 2_564 2_564 ?
Sb3 Ba1 Sb1 60.70(5) . 2_564 ?
Sb2 Ba1 Sb1 48.55(5) . 2_554 ?
Sb5 Ba1 Sb1 68.69(5) 2_554 2_554 ?
Sb5 Ba1 Sb1 113.87(7) 2_564 2_554 ?
Sb6 Ba1 Sb1 103.92(3) 2_554 2_554 ?
Sb6 Ba1 Sb1 177.71(7) 2_564 2_554 ?
Sb3 Ba1 Sb1 60.70(5) . 2_554 ?
Sb1 Ba1 Sb1 74.85(6) 2_564 2_554 ?
Sb2 Ba1 Sn1 158.34(8) . . ?
Sb5 Ba1 Sn1 128.40(5) 2_554 . ?
Sb5 Ba1 Sn1 128.40(5) 2_564 . ?
Sb6 Ba1 Sn1 61.75(5) 2_554 . ?
Sb6 Ba1 Sn1 61.75(5) 2_564 . ?
Sb3 Ba1 Sn1 72.85(6) . . ?
Sb1 Ba1 Sn1 116.96(6) 2_564 . ?
Sb1 Ba1 Sn1 116.96(6) 2_554 . ?
Sb2 Ba1 Sb5 85.13(7) . 6_556 ?
Sb5 Ba1 Sb5 46.21(5) 2_554 6_556 ?
Sb5 Ba1 Sb5 46.21(5) 2_564 6_556 ?
Sb6 Ba1 Sb5 69.83(5) 2_554 6_556 ?
Sb6 Ba1 Sb5 69.83(5) 2_564 6_556 ?
Sb3 Ba1 Sb5 170.62(8) . 6_556 ?
Sb1 Ba1 Sb5 112.39(6) 2_564 6_556 ?
Sb1 Ba1 Sb5 112.39(6) 2_554 6_556 ?
Sn1 Ba1 Sb5 116.53(7) . 6_556 ?
Sb2 Ba1 Ba1 90.0 . 1_565 ?
Sb5 Ba1 Ba1 129.20(3) 2_554 1_565 ?
Sb5 Ba1 Ba1 50.80(3) 2_564 1_565 ?
Sb6 Ba1 Ba1 128.62(3) 2_554 1_565 ?
Sb6 Ba1 Ba1 51.38(3) 2_564 1_565 ?
Sb3 Ba1 Ba1 90.0 . 1_565 ?
Sb1 Ba1 Ba1 52.58(3) 2_564 1_565 ?
Sb1 Ba1 Ba1 127.42(3) 2_554 1_565 ?
Sn1 Ba1 Ba1 90.0 . 1_565 ?
Sb5 Ba1 Ba1 90.0 6_556 1_565 ?
Sb2 Ba1 Ba1 90.0 . 1_545 ?
Sb5 Ba1 Ba1 50.80(3) 2_554 1_545 ?
Sb5 Ba1 Ba1 129.20(3) 2_564 1_545 ?
Sb6 Ba1 Ba1 51.38(3) 2_554 1_545 ?
Sb6 Ba1 Ba1 128.62(3) 2_564 1_545 ?
Sb3 Ba1 Ba1 90.0 . 1_545 ?
Sb1 Ba1 Ba1 127.42(3) 2_564 1_545 ?
Sb1 Ba1 Ba1 52.58(3) 2_554 1_545 ?
Sn1 Ba1 Ba1 90.0 . 1_545 ?
Sb5 Ba1 Ba1 90.0 6_556 1_545 ?
Ba1 Ba1 Ba1 180.00(14) 1_565 1_545 ?
Sb4 Ba2 Sb4 77.75(6) 2_554 2_564 ?
Sb4 Ba2 Sb1 79.83(5) 2_554 5_556 ?
Sb4 Ba2 Sb1 126.94(8) 2_564 5_556 ?
Sb4 Ba2 Sb1 126.94(8) 2_554 5_566 ?
Sb4 Ba2 Sb1 79.83(5) 2_564 5_566 ?
Sb1 Ba2 Sb1 76.55(6) 5_556 5_566 ?
Sb4 Ba2 Sb2 130.57(8) 2_554 2_565 ?
Sb4 Ba2 Sb2 82.95(5) 2_564 2_565 ?
Sb1 Ba2 Sb2 144.36(8) 5_556 2_565 ?
Sb1 Ba2 Sb2 92.84(5) 5_566 2_565 ?
Sb4 Ba2 Sb2 82.95(5) 2_554 2 ?
Sb4 Ba2 Sb2 130.57(8) 2_564 2 ?
Sb1 Ba2 Sb2 92.84(5) 5_556 2 ?
Sb1 Ba2 Sb2 144.36(8) 5_566 2 ?
Sb2 Ba2 Sb2 76.05(6) 2_565 2 ?
Sb4 Ba2 Sn3 69.86(5) 2_554 . ?
Sb4 Ba2 Sn3 69.86(5) 2_564 . ?
Sb1 Ba2 Sn3 141.34(3) 5_556 . ?
Sb1 Ba2 Sn3 141.34(3) 5_566 . ?
Sb2 Ba2 Sn3 60.80(5) 2_565 . ?
Sb2 Ba2 Sn3 60.80(5) 2 . ?
Sb4 Ba2 Sb2 126.21(5) 2_554 6_556 ?
Sb4 Ba2 Sb2 126.21(5) 2_564 6_556 ?
Sb1 Ba2 Sb2 46.65(4) 5_556 6_556 ?
Sb1 Ba2 Sb2 46.65(4) 5_566 6_556 ?
Sb2 Ba2 Sb2 101.89(6) 2_565 6_556 ?
Sb2 Ba2 Sb2 101.89(6) 2 6_556 ?
Sn3 Ba2 Sb2 156.90(8) . 6_556 ?
Sb4 Ba2 Sb3 68.76(6) 2_554 6_556 ?
Sb4 Ba2 Sb3 68.76(6) 2_564 6_556 ?
Sb1 Ba2 Sb3 58.35(5) 5_556 6_556 ?
Sb1 Ba2 Sb3 58.35(5) 5_566 6_556 ?
Sb2 Ba2 Sb3 141.92(3) 2_565 6_556 ?
Sb2 Ba2 Sb3 141.92(3) 2 6_556 ?
Sn3 Ba2 Sb3 126.02(7) . 6_556 ?
Sb2 Ba2 Sb3 77.08(6) 6_556 6_556 ?
Sb4 Ba2 Ba2 51.12(3) 2_554 1_545 ?
Sb4 Ba2 Ba2 128.88(3) 2_564 1_545 ?
Sb1 Ba2 Ba2 51.72(3) 5_556 1_545 ?
Sb1 Ba2 Ba2 128.28(3) 5_566 1_545 ?
Sb2 Ba2 Ba2 128.02(3) 2_565 1_545 ?
Sb2 Ba2 Ba2 51.98(3) 2 1_545 ?
Sn3 Ba2 Ba2 90.0 . 1_545 ?
Sb2 Ba2 Ba2 90.0 6_556 1_545 ?
Sb3 Ba2 Ba2 90.0 6_556 1_545 ?
Sb4 Ba2 Ba2 128.88(3) 2_554 1_565 ?
Sb4 Ba2 Ba2 51.12(3) 2_564 1_565 ?
Sb1 Ba2 Ba2 128.28(3) 5_556 1_565 ?
Sb1 Ba2 Ba2 51.72(3) 5_566 1_565 ?
Sb2 Ba2 Ba2 51.98(3) 2_565 1_565 ?
Sb2 Ba2 Ba2 128.02(3) 2 1_565 ?
Sn3 Ba2 Ba2 90.0 . 1_565 ?
Sb2 Ba2 Ba2 90.0 6_556 1_565 ?
Sb3 Ba2 Ba2 90.0 6_556 1_565 ?
Ba2 Ba2 Ba2 180.00(15) 1_545 1_565 ?
Sb4 Ba2 Ba2 169.37(5) 2_554 5_566 ?
Sb4 Ba2 Ba2 112.85(2) 2_564 5_566 ?
Sb1 Ba2 Ba2 93.67(7) 5_556 5_566 ?
Sb1 Ba2 Ba2 58.48(5) 5_566 5_566 ?
Sb2 Ba2 Ba2 53.09(5) 2_565 5_566 ?
Sb2 Ba2 Ba2 89.03(7) 2 5_566 ?
Sn3 Ba2 Ba2 112.11(7) . 5_566 ?
Sb2 Ba2 Ba2 48.80(4) 6_556 5_566 ?
Sb3 Ba2 Ba2 115.00(7) 6_556 5_566 ?
Ba2 Ba2 Ba2 118.27(2) 1_545 5_566 ?
Ba2 Ba2 Ba2 61.73(2) 1_565 5_566 ?
Sb3 Sn1 Sb4 93.10(7) 6_556 2_564 ?
Sb3 Sn1 Sb4 93.10(7) 6_556 2_554 ?
Sb4 Sn1 Sb4 98.96(10) 2_564 2_554 ?
Sb3 Sn1 Ba1 136.30(9) 6_556 . ?
Sb4 Sn1 Ba1 114.09(6) 2_564 . ?
Sb4 Sn1 Ba1 114.09(6) 2_554 . ?
Sb4 Sn2 Sb6 102.85(10) . 6_557 ?
Sb4 Sn2 Sb3 116.11(7) . 2 ?
Sb6 Sn2 Sb3 109.99(7) 6_557 2 ?
Sb4 Sn2 Sb3 116.11(7) . 2_565 ?
Sb6 Sn2 Sb3 109.99(7) 6_557 2_565 ?
Sb3 Sn2 Sb3 101.89(10) 2 2_565 ?
Sb5 Sn3 Sb6 94.14(7) . 5_666 ?
Sb5 Sn3 Sb6 94.14(7) . 5_656 ?
Sb6 Sn3 Sb6 98.40(9) 5_666 5_656 ?
Sb5 Sn3 Ba2 113.53(9) . . ?
Sb6 Sn3 Ba2 124.52(6) 5_666 . ?
Sb6 Sn3 Ba2 124.52(6) 5_656 . ?
Sb2 Sb1 Sb2 97.87(10) 2 2_565 ?
Sb2 Sb1 Ba2 71.07(6) 2 5_556 ?
Sb2 Sb1 Ba2 127.57(9) 2_565 5_556 ?
Sb2 Sb1 Ba2 127.57(9) 2 5_566 ?
Sb2 Sb1 Ba2 71.07(6) 2_565 5_566 ?
Ba2 Sb1 Ba2 76.55(6) 5_556 5_566 ?
Sb2 Sb1 Ba1 117.57(9) 2 2_565 ?
Sb2 Sb1 Ba1 63.03(6) 2_565 2_565 ?
Ba2 Sb1 Ba1 166.90(9) 5_556 2_565 ?
Ba2 Sb1 Ba1 102.77(3) 5_566 2_565 ?
Sb2 Sb1 Ba1 63.03(6) 2 2 ?
Sb2 Sb1 Ba1 117.57(9) 2_565 2 ?
Ba2 Sb1 Ba1 102.77(3) 5_556 2 ?
Ba2 Sb1 Ba1 166.90(9) 5_566 2 ?
Ba1 Sb1 Ba1 74.85(6) 2_565 2 ?
Sb1 Sb2 Sb1 97.87(10) 2_564 2_554 ?
Sb1 Sb2 Ba1 68.42(6) 2_564 . ?
Sb1 Sb2 Ba1 68.42(6) 2_554 . ?
Sb1 Sb2 Ba2 78.01(5) 2_564 2_564 ?
Sb1 Sb2 Ba2 136.15(9) 2_554 2_564 ?
Ba1 Sb2 Ba2 141.77(3) . 2_564 ?
Sb1 Sb2 Ba2 136.15(9) 2_564 2_554 ?
Sb1 Sb2 Ba2 78.01(5) 2_554 2_554 ?
Ba1 Sb2 Ba2 141.77(3) . 2_554 ?
Ba2 Sb2 Ba2 76.05(6) 2_564 2_554 ?
Sb1 Sb2 Ba2 62.27(6) 2_564 6_656 ?
Sb1 Sb2 Ba2 62.27(6) 2_554 6_656 ?
Ba1 Sb2 Ba2 100.86(7) . 6_656 ?
Ba2 Sb2 Ba2 78.11(6) 2_564 6_656 ?
Ba2 Sb2 Ba2 78.11(6) 2_554 6_656 ?
Sn2 Sb3 Sn2 101.89(10) 2_564 2_554 ?
Sn2 Sb3 Sn1 84.89(7) 2_564 6_656 ?
Sn2 Sb3 Sn1 84.89(7) 2_554 6_656 ?
Sn2 Sb3 Ba1 100.88(7) 2_564 . ?
Sn2 Sb3 Ba1 100.88(7) 2_554 . ?
Sn1 Sb3 Ba1 170.70(10) 6_656 . ?
Sn2 Sb3 Ba2 125.14(6) 2_564 6_656 ?
Sn2 Sb3 Ba2 125.14(6) 2_554 6_656 ?
Sn1 Sb3 Ba2 74.13(7) 6_656 6_656 ?
Ba1 Sb3 Ba2 96.57(7) . 6_656 ?
Sn2 Sb4 Sn1 94.21(7) . 2 ?
Sn2 Sb4 Sn1 94.21(7) . 2_565 ?
Sn1 Sb4 Sn1 98.96(10) 2 2_565 ?
Sn2 Sb4 Ba2 123.19(7) . 2_565 ?
Sn1 Sb4 Ba2 142.59(9) 2 2_565 ?
Sn1 Sb4 Ba2 80.79(5) 2_565 2_565 ?
Sn2 Sb4 Ba2 123.19(7) . 2 ?
Sn1 Sb4 Ba2 80.79(5) 2 2 ?
Sn1 Sb4 Ba2 142.59(9) 2_565 2 ?
Ba2 Sb4 Ba2 77.75(6) 2_565 2 ?
Sn3 Sb5 Sb5 105.85(10) . 5_666 ?
Sn3 Sb5 Sb5 105.85(10) . 5_656 ?
Sb5 Sb5 Sb5 98.88(14) 5_666 5_656 ?
Sn3 Sb5 Ba1 121.26(7) . 2_565 ?
Sb5 Sb5 Ba1 73.60(7) 5_666 2_565 ?
Sb5 Sb5 Ba1 132.69(12) 5_656 2_565 ?
Sn3 Sb5 Ba1 121.26(7) . 2 ?
Sb5 Sb5 Ba1 132.69(12) 5_666 2 ?
Sb5 Sb5 Ba1 73.60(7) 5_656 2 ?
Ba1 Sb5 Ba1 78.40(6) 2_565 2 ?
Sn3 Sb5 Ba1 74.70(7) . 6_656 ?
Sb5 Sb5 Ba1 60.19(8) 5_666 6_656 ?
Sb5 Sb5 Ba1 60.19(8) 5_656 6_656 ?
Ba1 Sb5 Ba1 133.79(5) 2_565 6_656 ?
Ba1 Sb5 Ba1 133.79(5) 2 6_656 ?
Sn2 Sb6 Sn3 89.08(7) 6_657 5_666 ?
Sn2 Sb6 Sn3 89.08(7) 6_657 5_656 ?
Sn3 Sb6 Sn3 98.40(9) 5_666 5_656 ?
Sn2 Sb6 Ba1 130.52(6) 6_657 2 ?
Sn3 Sb6 Ba1 140.03(9) 5_666 2 ?
Sn3 Sb6 Ba1 79.71(5) 5_656 2 ?
Sn2 Sb6 Ba1 130.52(6) 6_657 2_565 ?
Sn3 Sb6 Ba1 79.71(5) 5_666 2_565 ?
Sn3 Sb6 Ba1 140.03(9) 5_656 2_565 ?
Ba1 Sb6 Ba1 77.24(6) 2 2_565 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ba1 Sb2 3.478(3) . ?
Ba1 Sb5 3.489(2) 2_554 ?
Ba1 Sb5 3.489(2) 2_564 ?
Ba1 Sb6 3.533(2) 2_554 ?
Ba1 Sb6 3.533(2) 2_564 ?
Ba1 Sb3 3.607(3) . ?
Ba1 Sb1 3.628(2) 2_564 ?
Ba1 Sb1 3.628(2) 2_554 ?
Ba1 Sn1 3.629(3) . ?
Ba1 Sb5 3.857(3) 6_556 ?
Ba1 Ba1 4.4100(5) 1_565 ?
Ba1 Ba1 4.4100(5) 1_545 ?
Ba2 Sb4 3.513(2) 2_554 ?
Ba2 Sb4 3.513(2) 2_564 ?
Ba2 Sb1 3.560(2) 5_556 ?
Ba2 Sb1 3.560(2) 5_566 ?
Ba2 Sb2 3.580(2) 2_565 ?
Ba2 Sb2 3.580(2) 2 ?
Ba2 Sn3 3.659(3) . ?
Ba2 Sb2 3.804(3) 6_556 ?
Ba2 Sb3 3.913(3) 6_556 ?
Ba2 Ba2 4.4100(5) 1_545 ?
Ba2 Ba2 4.4100(5) 1_565 ?
Ba2 Ba2 4.655(4) 5_566 ?
Sn1 Sb3 2.894(3) 6_556 ?
Sn1 Sb4 2.901(2) 2_564 ?
Sn1 Sb4 2.901(2) 2_554 ?
Sn2 Sb4 2.793(3) . ?
Sn2 Sb6 2.794(3) 6_557 ?
Sn2 Sb3 2.840(2) 2 ?
Sn2 Sb3 2.840(2) 2_565 ?
Sn3 Sb5 2.876(3) . ?
Sn3 Sb6 2.913(2) 5_666 ?
Sn3 Sb6 2.913(2) 5_656 ?
Sb1 Sb2 2.924(2) 2 ?
Sb1 Sb2 2.924(2) 2_565 ?
Sb1 Ba2 3.560(2) 5_556 ?
Sb1 Ba2 3.560(2) 5_566 ?
Sb1 Ba1 3.628(2) 2_565 ?
Sb1 Ba1 3.628(2) 2 ?
Sb2 Sb1 2.924(2) 2_564 ?
Sb2 Sb1 2.924(2) 2_554 ?
Sb2 Ba2 3.580(2) 2_564 ?
Sb2 Ba2 3.580(2) 2_554 ?
Sb2 Ba2 3.804(3) 6_656 ?
Sb3 Sn2 2.839(2) 2_564 ?
Sb3 Sn2 2.839(2) 2_554 ?
Sb3 Sn1 2.894(3) 6_656 ?
Sb3 Ba2 3.913(3) 6_656 ?
Sb4 Sn1 2.901(2) 2 ?
Sb4 Sn1 2.901(2) 2_565 ?
Sb4 Ba2 3.513(2) 2_565 ?
Sb4 Ba2 3.513(2) 2 ?
Sb5 Sb5 2.902(3) 5_666 ?
Sb5 Sb5 2.902(3) 5_656 ?
Sb5 Ba1 3.489(2) 2_565 ?
Sb5 Ba1 3.489(2) 2 ?
Sb5 Ba1 3.857(3) 6_656 ?
Sb6 Sn2 2.794(3) 6_657 ?
Sb6 Sn3 2.913(2) 5_666 ?
Sb6 Sn3 2.913(2) 5_656 ?
Sb6 Ba1 3.533(2) 2 ?
Sb6 Ba1 3.533(2) 2_565 ?
