#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/24/05/2240552.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2240552
loop_
_publ_author_name
'Pan, Ming-Yan'
'Xia, Sheng-Qing'
'Tao, Xu-Tang'
_publ_section_title
;
 Crystal structure of Ba₅In₄Sb₆
;
_journal_coeditor_code           HB7382
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i4
_journal_paper_doi               10.1107/S2056989015006933
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'Ba5 In4 Sb6'
_chemical_formula_sum            'Ba5 In4 Sb6'
_chemical_formula_weight         1876.48
_chemical_name_common            Ba5In4Sb6
_chemical_name_systematic        'Pentabarium tetraindium hexaantimony'
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.2723(13)
_cell_length_b                   18.3578(17)
_cell_length_c                   8.2710(8)
_cell_measurement_reflns_used    1832
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.85
_cell_volume                     2167.1(4)
_computing_cell_refinement
;
SAINT (Bruker, 2005)
;
_computing_data_collection
;
APEX2 (Bruker, 2005)
;
_computing_data_reduction
;
SAINT (Bruker, 2005)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and 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  0.0495
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            12962
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         1.81
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    20.394
_exptl_absorpt_correction_T_max  0.6858
_exptl_absorpt_correction_T_min  0.3742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2005)
;
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    5.751
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3128
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.997
_refine_diff_density_min         -1.689
_refine_ls_extinction_coef       0.000211(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL97 (Sheldrick, 2008)
;
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_matrix_type           full
_refine_ls_number_parameters     79
_refine_ls_number_reflns         2676
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0432
_refine_ls_R_factor_gt           0.0287
_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)+(0.0146P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0504
_refine_ls_wR_factor_ref         0.0548
_reflns_number_gt                2098
_reflns_number_total             2676
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb7382sup1.cf
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     ' -P 2ab 2a'
_cod_original_sg_symbol_H-M      'P m m n'
_cod_database_code               2240552
_cod_database_fobs_code          2240552
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z'
'-x-1/2, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Ba Ba1 0.08681(3) 0.00085(2) 0.23996(5) 0.00924(11) Uani d . 1 1
Ba Ba2 0.10037(4) 0.2500 0.26369(7) 0.00879(14) Uani d S 1 2
Ba Ba3 0.2500 0.50189(3) 0.73898(7) 0.00933(14) Uani d S 1 2
Ba Ba4 0.2500 0.7500 0.07159(11) 0.0113(2) Uani d S 1 4
Ba Ba5 0.2500 0.2500 0.70687(10) 0.00876(19) Uani d S 1 4
In In1 0.56473(4) 0.66923(3) 0.10245(6) 0.00979(13) Uani d . 1 1
In In2 0.59568(3) 0.17226(3) 0.43328(6) 0.00990(13) Uani d . 1 1
Sb Sb1 0.07830(3) 0.11748(3) 0.57615(6) 0.00809(11) Uani d . 1 1
Sb Sb2 0.58565(3) 0.12044(3) 0.09457(6) 0.00865(12) Uani d . 1 1
Sb Sb3 0.2500 0.12590(4) 0.05576(8) 0.00786(15) Uani d S 1 2
Sb Sb4 0.2500 0.61680(4) 0.39782(9) 0.00841(15) Uani d S 1 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
In In -0.7276 1.3100 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
Sb4 Ba1 Sb2 2 8_655 177.466(19)
Sb4 Ba1 Sb1 2 . 96.078(18)
Sb2 Ba1 Sb1 8_655 . 82.282(15)
Sb4 Ba1 Sb1 2 5_556 84.397(16)
Sb2 Ba1 Sb1 8_655 5_556 93.674(16)
Sb1 Ba1 Sb1 . 5_556 90.625(16)
Sb4 Ba1 Sb2 2 4_455 84.553(18)
Sb2 Ba1 Sb2 8_655 4_455 97.002(15)
Sb1 Ba1 Sb2 . 4_455 177.436(18)
Sb1 Ba1 Sb2 5_556 4_455 86.962(15)
Sb4 Ba1 Sb3 2 . 97.059(16)
Sb2 Ba1 Sb3 8_655 . 84.841(15)
Sb1 Ba1 Sb3 . . 88.211(17)
Sb1 Ba1 Sb3 5_556 . 178.223(18)
Sb2 Ba1 Sb3 4_455 . 94.182(17)
Sb4 Ba1 In1 2 2 89.069(17)
Sb2 Ba1 In1 8_655 2 90.672(16)
Sb1 Ba1 In1 . 2 133.506(16)
Sb1 Ba1 In1 5_556 2 43.815(13)
Sb2 Ba1 In1 4_455 2 43.967(12)
Sb3 Ba1 In1 . 2 137.062(18)
Sb4 Ba1 Ba2 2 . 125.651(17)
Sb2 Ba1 Ba2 8_655 . 54.554(13)
Sb1 Ba1 Ba2 . . 50.129(13)
Sb1 Ba1 Ba2 5_556 . 128.386(16)
Sb2 Ba1 Ba2 4_455 . 131.250(16)
Sb3 Ba1 Ba2 . . 49.885(14)
In1 Ba1 Ba2 2 . 145.225(16)
Sb4 Ba1 Ba1 2 8_655 47.298(11)
Sb2 Ba1 Ba1 8_655 8_655 134.518(11)
Sb1 Ba1 Ba1 . 8_655 91.983(11)
Sb1 Ba1 Ba1 5_556 8_655 131.624(11)
Sb2 Ba1 Ba1 4_455 8_655 90.267(10)
Sb3 Ba1 Ba1 . 8_655 49.790(10)
In1 Ba1 Ba1 2 8_655 123.058(10)
Ba2 Ba1 Ba1 . 8_655 87.579(9)
Sb4 Ba1 Ba1 2 5 132.64(2)
Sb2 Ba1 Ba1 8_655 5 48.878(11)
Sb1 Ba1 Ba1 . 5 131.107(18)
Sb1 Ba1 Ba1 5_556 5 90.449(16)
Sb2 Ba1 Ba1 4_455 5 48.124(12)
Sb3 Ba1 Ba1 . 5 89.306(16)
In1 Ba1 Ba1 2 5 57.489(12)
Ba2 Ba1 Ba1 . 5 93.748(14)
Ba1 Ba1 Ba1 8_655 5 121.973(11)
Sb4 Ba1 Ba3 2 2 47.852(14)
Sb2 Ba1 Ba3 8_655 2 130.506(15)
Sb1 Ba1 Ba3 . 2 48.233(12)
Sb1 Ba1 Ba3 5_556 2 86.937(14)
Sb2 Ba1 Ba3 4_455 2 132.382(15)
Sb3 Ba1 Ba3 . 2 93.283(15)
In1 Ba1 Ba3 2 2 120.632(14)
Ba2 Ba1 Ba3 . 2 87.281(13)
Ba1 Ba1 Ba3 8_655 2 60.565(7)
Ba1 Ba1 Ba3 5 2 177.275(17)
Sb4 Ba1 Ba3 2 2_554 89.567(16)
Sb2 Ba1 Ba3 8_655 2_554 92.956(14)
Sb1 Ba1 Ba3 . 2_554 135.534(16)
Sb1 Ba1 Ba3 5_556 2_554 133.841(15)
Sb2 Ba1 Ba3 4_455 2_554 46.886(12)
Sb3 Ba1 Ba3 . 2_554 47.337(14)
In1 Ba1 Ba3 2 2_554 90.508(13)
Ba2 Ba1 Ba3 . 2_554 91.559(13)
Ba1 Ba1 Ba3 8_655 2_554 60.662(7)
Ba1 Ba1 Ba3 5 2_554 61.312(12)
Ba3 Ba1 Ba3 2 2_554 121.212(11)
In1 Ba2 In1 6 4_465 51.55(2)
In1 Ba2 In2 6 8_655 93.462(18)
In1 Ba2 In2 4_465 8_655 114.91(2)
In1 Ba2 In2 6 2 114.91(2)
In1 Ba2 In2 4_465 2 93.462(18)
In2 Ba2 In2 8_655 2 49.02(2)
In1 Ba2 Sb1 6 7_565 158.09(2)
In1 Ba2 Sb1 4_465 7_565 109.515(14)
In2 Ba2 Sb1 8_655 7_565 85.158(18)
In2 Ba2 Sb1 2 7_565 49.389(14)
In1 Ba2 Sb1 6 . 109.515(14)
In1 Ba2 Sb1 4_465 . 158.09(2)
In2 Ba2 Sb1 8_655 . 49.389(14)
In2 Ba2 Sb1 2 . 85.158(18)
Sb1 Ba2 Sb1 7_565 . 86.12(2)
In1 Ba2 Sb3 6 2 86.49(2)
In1 Ba2 Sb3 4_465 2 51.906(14)
In2 Ba2 Sb3 8_655 2 161.643(18)
In2 Ba2 Sb3 2 2 114.761(14)
Sb1 Ba2 Sb3 7_565 2 88.083(16)
Sb1 Ba2 Sb3 . 2 147.05(2)
In1 Ba2 Sb3 6 . 51.906(14)
In1 Ba2 Sb3 4_465 . 86.49(2)
In2 Ba2 Sb3 8_655 . 114.761(14)
In2 Ba2 Sb3 2 . 161.643(18)
Sb1 Ba2 Sb3 7_565 . 147.05(2)
Sb1 Ba2 Sb3 . . 88.083(16)
Sb3 Ba2 Sb3 2 . 79.45(2)
In1 Ba2 Sb2 6 8_655 45.739(13)
In1 Ba2 Sb2 4_465 8_655 80.925(18)
In2 Ba2 Sb2 8_655 8_655 47.723(14)
In2 Ba2 Sb2 2 8_655 80.950(18)
Sb1 Ba2 Sb2 7_565 8_655 128.88(2)
Sb1 Ba2 Sb2 . 8_655 77.265(13)
Sb3 Ba2 Sb2 2 8_655 129.50(2)
Sb3 Ba2 Sb2 . 8_655 80.918(14)
In1 Ba2 Sb2 6 2 80.925(18)
In1 Ba2 Sb2 4_465 2 45.739(13)
In2 Ba2 Sb2 8_655 2 80.950(18)
In2 Ba2 Sb2 2 2 47.723(14)
Sb1 Ba2 Sb2 7_565 2 77.265(13)
Sb1 Ba2 Sb2 . 2 128.88(2)
Sb3 Ba2 Sb2 2 2 80.918(14)
Sb3 Ba2 Sb2 . 2 129.50(2)
Sb2 Ba2 Sb2 8_655 2 76.80(2)
In1 Ba2 Ba5 6 . 147.398(15)
In1 Ba2 Ba5 4_465 . 147.398(15)
In2 Ba2 Ba5 8_655 . 93.275(18)
In2 Ba2 Ba5 2 . 93.275(18)
Sb1 Ba2 Ba5 7_565 . 54.396(13)
Sb1 Ba2 Ba5 . . 54.396(13)
Sb3 Ba2 Ba5 2 . 96.619(17)
Sb3 Ba2 Ba5 . . 96.619(17)
Sb2 Ba2 Ba5 8_655 . 131.656(13)
Sb2 Ba2 Ba5 2 . 131.656(13)
In1 Ba2 Ba2 6 2 98.579(14)
In1 Ba2 Ba2 4_465 2 98.579(14)
In2 Ba2 Ba2 8_655 2 144.428(13)
In2 Ba2 Ba2 2 2 144.428(13)
Sb1 Ba2 Ba2 7_565 2 95.073(13)
Sb1 Ba2 Ba2 . 2 95.073(13)
Sb3 Ba2 Ba2 2 2 53.198(11)
Sb3 Ba2 Ba2 . 2 53.198(11)
Sb2 Ba2 Ba2 8_655 2 133.895(11)
Sb2 Ba2 Ba2 2 2 133.895(11)
Ba5 Ba2 Ba2 . 2 59.775(11)
Sb2 Ba3 Sb2 3_656 6_566 84.66(2)
Sb2 Ba3 Sb3 3_656 2_556 97.024(18)
Sb2 Ba3 Sb3 6_566 2_556 97.024(18)
Sb2 Ba3 Sb4 3_656 . 86.702(17)
Sb2 Ba3 Sb4 6_566 . 86.702(17)
Sb3 Ba3 Sb4 2_556 . 174.94(2)
Sb2 Ba3 Sb1 3_656 7_565 178.605(18)
Sb2 Ba3 Sb1 6_566 7_565 94.053(13)
Sb3 Ba3 Sb1 2_556 7_565 82.585(17)
Sb4 Ba3 Sb1 . 7_565 93.769(17)
Sb2 Ba3 Sb1 3_656 2 94.053(13)
Sb2 Ba3 Sb1 6_566 2 178.605(18)
Sb3 Ba3 Sb1 2_556 2 82.585(17)
Sb4 Ba3 Sb1 . 2 93.769(17)
Sb1 Ba3 Sb1 7_565 2 87.23(2)
Sb2 Ba3 In2 3_656 3_656 45.244(13)
Sb2 Ba3 In2 6_566 3_656 91.297(18)
Sb3 Ba3 In2 2_556 3_656 140.454(14)
Sb4 Ba3 In2 . 3_656 42.412(12)
Sb1 Ba3 In2 7_565 3_656 135.44(2)
Sb1 Ba3 In2 2 3_656 88.172(14)
Sb2 Ba3 In2 3_656 6_566 91.297(18)
Sb2 Ba3 In2 6_566 6_566 45.244(13)
Sb3 Ba3 In2 2_556 6_566 140.454(14)
Sb4 Ba3 In2 . 6_566 42.412(12)
Sb1 Ba3 In2 7_565 6_566 88.172(14)
Sb1 Ba3 In2 2 6_566 135.44(2)
In2 Ba3 In2 3_656 6_566 65.310(18)
Sb2 Ba3 Ba5 3_656 . 130.270(14)
Sb2 Ba3 Ba5 6_566 . 130.270(14)
Sb3 Ba3 Ba5 2_556 . 51.447(18)
Sb4 Ba3 Ba5 . . 123.49(2)
Sb1 Ba3 Ba5 7_565 . 50.390(12)
Sb1 Ba3 Ba5 2 . 50.390(12)
In2 Ba3 Ba5 3_656 . 138.151(14)
In2 Ba3 Ba5 6_566 . 138.151(14)
Sb2 Ba3 Ba1 3_656 7_565 132.982(18)
Sb2 Ba3 Ba1 6_566 7_565 91.140(13)
Sb3 Ba3 Ba1 2_556 7_565 129.919(16)
Sb4 Ba3 Ba1 . 7_565 46.281(12)
Sb1 Ba3 Ba1 7_565 7_565 47.495(11)
Sb1 Ba3 Ba1 2 7_565 90.133(16)
In2 Ba3 Ba1 3_656 7_565 88.244(15)
In2 Ba3 Ba1 6_566 7_565 55.877(11)
Ba5 Ba3 Ba1 . 7_565 86.529(14)
Sb2 Ba3 Ba1 3_656 2 91.140(13)
Sb2 Ba3 Ba1 6_566 2 132.982(18)
Sb3 Ba3 Ba1 2_556 2 129.919(16)
Sb4 Ba3 Ba1 . 2 46.281(12)
Sb1 Ba3 Ba1 7_565 2 90.133(16)
Sb1 Ba3 Ba1 2 2 47.495(11)
In2 Ba3 Ba1 3_656 2 55.877(11)
In2 Ba3 Ba1 6_566 2 88.244(15)
Ba5 Ba3 Ba1 . 2 86.529(14)
Ba1 Ba3 Ba1 7_565 2 58.870(14)
Sb2 Ba3 Ba1 3_656 2_556 48.100(12)
Sb2 Ba3 Ba1 6_566 2_556 89.545(17)
Sb3 Ba3 Ba1 2_556 2_556 48.968(13)
Sb4 Ba3 Ba1 . 2_556 134.789(16)
Sb1 Ba3 Ba1 7_565 2_556 131.442(18)
Sb1 Ba3 Ba1 2 2_556 89.193(13)
In2 Ba3 Ba1 3_656 2_556 92.751(13)
In2 Ba3 Ba1 6_566 2_556 125.221(17)
Ba5 Ba3 Ba1 . 2_556 92.258(15)
Ba1 Ba3 Ba1 7_565 2_556 178.779(18)
Ba1 Ba3 Ba1 2 2_556 121.212(11)
Sb2 Ba4 Sb2 6_565 5_665 135.28(3)
Sb2 Ba4 Sb2 6_565 4_465 82.364(19)
Sb2 Ba4 Sb2 5_665 4_465 80.989(19)
Sb2 Ba4 Sb2 6_565 3_655 80.989(19)
Sb2 Ba4 Sb2 5_665 3_655 82.364(19)
Sb2 Ba4 Sb2 4_465 3_655 135.28(3)
Sb2 Ba4 Sb4 6_565 2_565 136.392(16)
Sb2 Ba4 Sb4 5_665 2_565 80.779(13)
Sb2 Ba4 Sb4 4_465 2_565 80.780(13)
Sb2 Ba4 Sb4 3_655 2_565 136.392(16)
Sb2 Ba4 Sb4 6_565 . 80.780(13)
Sb2 Ba4 Sb4 5_665 . 136.392(16)
Sb2 Ba4 Sb4 4_465 . 136.392(16)
Sb2 Ba4 Sb4 3_655 . 80.779(13)
Sb4 Ba4 Sb4 2_565 . 84.37(3)
In1 Ba5 In1 5_666 4_466 101.39(2)
In1 Ba5 In1 5_666 3_646 51.430(19)
In1 Ba5 In1 4_466 3_646 125.03(3)
In1 Ba5 In1 5_666 6_556 125.03(3)
In1 Ba5 In1 4_466 6_556 51.430(19)
In1 Ba5 In1 3_646 6_556 101.39(2)
In1 Ba5 Sb1 5_666 . 162.493(19)
In1 Ba5 Sb1 4_466 . 84.581(13)
In1 Ba5 Sb1 3_646 . 111.730(13)
In1 Ba5 Sb1 6_556 . 47.322(13)
In1 Ba5 Sb1 5_666 2 47.322(13)
In1 Ba5 Sb1 4_466 2 111.730(13)
In1 Ba5 Sb1 3_646 2 84.581(13)
In1 Ba5 Sb1 6_556 2 162.493(19)
Sb1 Ba5 Sb1 . 2 145.23(3)
In1 Ba5 Sb1 5_666 7_565 111.730(13)
In1 Ba5 Sb1 4_466 7_565 47.322(13)
In1 Ba5 Sb1 3_646 7_565 162.493(19)
In1 Ba5 Sb1 6_556 7_565 84.581(13)
Sb1 Ba5 Sb1 . 7_565 84.494(18)
Sb1 Ba5 Sb1 2 7_565 85.261(18)
In1 Ba5 Sb1 5_666 8_655 84.581(13)
In1 Ba5 Sb1 4_466 8_655 162.493(19)
In1 Ba5 Sb1 3_646 8_655 47.322(13)
In1 Ba5 Sb1 6_556 8_655 111.730(13)
Sb1 Ba5 Sb1 . 8_655 85.261(18)
Sb1 Ba5 Sb1 2 8_655 84.494(18)
Sb1 Ba5 Sb1 7_565 8_655 145.23(3)
In1 Ba5 Sb3 5_666 2_556 50.868(13)
In1 Ba5 Sb3 4_466 2_556 50.868(13)
In1 Ba5 Sb3 3_646 2_556 84.64(2)
In1 Ba5 Sb3 6_556 2_556 84.64(2)
Sb1 Ba5 Sb3 . 2_556 130.627(17)
Sb1 Ba5 Sb3 2 2_556 79.508(13)
Sb1 Ba5 Sb3 7_565 2_556 79.508(13)
Sb1 Ba5 Sb3 8_655 2_556 130.627(17)
In1 Ba5 Sb3 5_666 1_556 84.64(2)
In1 Ba5 Sb3 4_466 1_556 84.64(2)
In1 Ba5 Sb3 3_646 1_556 50.868(13)
In1 Ba5 Sb3 6_556 1_556 50.868(13)
Sb1 Ba5 Sb3 . 1_556 79.508(13)
Sb1 Ba5 Sb3 2 1_556 130.627(17)
Sb1 Ba5 Sb3 7_565 1_556 130.627(17)
Sb1 Ba5 Sb3 8_655 1_556 79.508(13)
Sb3 Ba5 Sb3 2_556 1_556 76.58(3)
In1 Ba5 Ba2 5_666 . 142.027(19)
In1 Ba5 Ba2 4_466 . 90.531(15)
In1 Ba5 Ba2 3_646 . 142.027(19)
In1 Ba5 Ba2 6_556 . 90.531(15)
Sb1 Ba5 Ba2 . . 53.194(13)
Sb1 Ba5 Ba2 2 . 94.75(2)
Sb1 Ba5 Ba2 7_565 . 53.194(13)
Sb1 Ba5 Ba2 8_655 . 94.75(2)
Sb3 Ba5 Ba2 2_556 . 132.701(10)
Sb3 Ba5 Ba2 1_556 . 132.701(10)
In1 Ba5 Ba2 5_666 2 90.531(15)
In1 Ba5 Ba2 4_466 2 142.027(19)
In1 Ba5 Ba2 3_646 2 90.531(15)
In1 Ba5 Ba2 6_556 2 142.027(19)
Sb1 Ba5 Ba2 . 2 94.75(2)
Sb1 Ba5 Ba2 2 2 53.194(13)
Sb1 Ba5 Ba2 7_565 2 94.75(2)
Sb1 Ba5 Ba2 8_655 2 53.194(13)
Sb3 Ba5 Ba2 2_556 2 132.701(10)
Sb3 Ba5 Ba2 1_556 2 132.701(10)
Ba2 Ba5 Ba2 . 2 60.45(2)
Sb1 In1 Sb2 6_666 3_655 119.01(2)
Sb1 In1 In1 6_666 7_575 109.617(14)
Sb2 In1 In1 3_655 7_575 108.387(14)
Sb1 In1 Sb3 6_666 6_665 104.82(2)
Sb2 In1 Sb3 3_655 6_665 109.04(2)
In1 In1 Sb3 7_575 6_665 105.090(16)
Sb1 In1 Ba2 6_666 6_665 165.95(2)
Sb2 In1 Ba2 3_655 6_665 74.947(19)
In1 In1 Ba2 7_575 6_665 64.226(10)
Sb3 In1 Ba2 6_665 6_665 66.660(19)
Sb1 In1 Ba5 6_666 5_666 70.071(19)
Sb2 In1 Ba5 3_655 5_666 170.58(2)
In1 In1 Ba5 7_575 5_666 64.285(10)
Sb3 In1 Ba5 6_665 5_666 68.962(19)
Ba2 In1 Ba5 6_665 5_666 96.07(2)
Sb1 In1 Ba1 6_666 2 60.226(15)
Sb2 In1 Ba1 3_655 2 60.260(15)
In1 In1 Ba1 7_575 2 141.952(10)
Sb3 In1 Ba1 6_665 2 112.95(2)
Ba2 In1 Ba1 6_665 2 132.730(18)
Ba5 In1 Ba1 5_666 2 129.15(2)
Sb4 In2 In2 6_656 7_565 111.322(17)
Sb4 In2 Sb1 6_656 8_655 109.93(2)
In2 In2 Sb1 7_565 8_655 110.086(14)
Sb4 In2 Sb2 6_656 . 113.15(2)
In2 In2 Sb2 7_565 . 108.733(14)
Sb1 In2 Sb2 8_655 . 103.32(2)
Sb4 In2 Ba2 6_656 2 173.81(3)
In2 In2 Ba2 7_565 2 65.488(10)
Sb1 In2 Ba2 8_655 2 67.497(17)
Sb2 In2 Ba2 . 2 73.039(18)
Sb4 In2 Ba3 6_656 6_656 58.068(19)
In2 In2 Ba3 7_565 6_656 140.012(10)
Sb1 In2 Ba3 8_655 6_656 109.592(19)
Sb2 In2 Ba3 . 6_656 56.626(15)
Ba2 In2 Ba3 2 6_656 127.911(18)
In1 Sb1 In2 6_556 8_655 101.88(2)
In1 Sb1 Ba1 6_556 . 161.99(2)
In2 Sb1 Ba1 8_655 . 85.363(18)
In1 Sb1 Ba1 6_556 5_556 75.959(17)
In2 Sb1 Ba1 8_655 5_556 79.632(17)
Ba1 Sb1 Ba1 . 5_556 89.375(16)
In1 Sb1 Ba3 6_556 2 84.155(19)
In2 Sb1 Ba3 8_655 2 161.77(2)
Ba1 Sb1 Ba3 . 2 84.272(16)
Ba1 Sb1 Ba3 5_556 2 85.293(16)
In1 Sb1 Ba2 6_556 . 117.27(2)
In2 Sb1 Ba2 8_655 . 63.114(17)
Ba1 Sb1 Ba2 . . 80.729(16)
Ba1 Sb1 Ba2 5_556 . 141.977(19)
Ba3 Sb1 Ba2 2 . 129.426(19)
In1 Sb1 Ba5 6_556 . 62.606(19)
In2 Sb1 Ba5 8_655 . 117.648(19)
Ba1 Sb1 Ba5 . . 128.543(19)
Ba1 Sb1 Ba5 5_556 . 137.18(2)
Ba3 Sb1 Ba5 2 . 80.461(15)
Ba2 Sb1 Ba5 . . 72.411(18)
In1 Sb2 In2 3_645 . 118.55(2)
In1 Sb2 Ba3 3_645 6_656 158.88(2)
In2 Sb2 Ba3 . 6_656 78.130(18)
In1 Sb2 Ba1 3_645 8_655 82.178(18)
In2 Sb2 Ba1 . 8_655 84.879(18)
Ba3 Sb2 Ba1 6_656 8_655 86.909(16)
In1 Sb2 Ba1 3_645 4 75.772(18)
In2 Sb2 Ba1 . 4 159.71(2)
Ba3 Sb2 Ba1 6_656 4 85.014(17)
Ba1 Sb2 Ba1 8_655 4 82.998(15)
In1 Sb2 Ba4 3_645 5_665 93.71(2)
In2 Sb2 Ba4 . 5_665 96.72(2)
Ba3 Sb2 Ba4 6_656 5_665 97.149(16)
Ba1 Sb2 Ba4 8_655 5_665 175.863(18)
Ba1 Sb2 Ba4 4 5_665 96.509(19)
In1 Sb2 Ba2 3_645 2 59.314(17)
In2 Sb2 Ba2 . 2 59.238(16)
Ba3 Sb2 Ba2 6_656 2 135.28(2)
Ba1 Sb2 Ba2 8_655 2 77.125(15)
Ba1 Sb2 Ba2 4 2 132.629(18)
Ba4 Sb2 Ba2 5_665 2 100.382(15)
In1 Sb3 In1 6 3_645 119.85(3)
In1 Sb3 Ba3 6 2_554 81.640(18)
In1 Sb3 Ba3 3_645 2_554 81.641(18)
In1 Sb3 Ba2 6 2 123.96(2)
In1 Sb3 Ba2 3_645 2 61.434(16)
Ba3 Sb3 Ba2 2_554 2 141.785(14)
In1 Sb3 Ba2 6 . 61.434(16)
In1 Sb3 Ba2 3_645 . 123.96(2)
Ba3 Sb3 Ba2 2_554 . 141.785(14)
Ba2 Sb3 Ba2 2 . 73.60(2)
In1 Sb3 Ba1 6 . 77.750(14)
In1 Sb3 Ba1 3_645 . 154.85(2)
Ba3 Sb3 Ba1 2_554 . 83.695(17)
Ba2 Sb3 Ba1 2 . 126.13(2)
Ba2 Sb3 Ba1 . . 79.407(14)
In1 Sb3 Ba1 6 8_655 154.85(2)
In1 Sb3 Ba1 3_645 8_655 77.750(14)
Ba3 Sb3 Ba1 2_554 8_655 83.695(17)
Ba2 Sb3 Ba1 2 8_655 79.407(14)
Ba2 Sb3 Ba1 . 8_655 126.13(2)
Ba1 Sb3 Ba1 . 8_655 80.42(2)
In1 Sb3 Ba5 6 1_554 60.170(15)
In1 Sb3 Ba5 3_645 1_554 60.170(15)
Ba3 Sb3 Ba5 2_554 1_554 80.13(2)
Ba2 Sb3 Ba5 2 1_554 89.005(18)
Ba2 Sb3 Ba5 . 1_554 89.005(18)
Ba1 Sb3 Ba5 . 1_554 136.530(13)
Ba1 Sb3 Ba5 8_655 1_554 136.530(13)
In2 Sb4 In2 3_656 6_566 103.75(3)
In2 Sb4 Ba1 3_656 7_565 162.15(3)
In2 Sb4 Ba1 6_566 7_565 83.388(15)
In2 Sb4 Ba1 3_656 2 83.388(15)
In2 Sb4 Ba1 6_566 2 162.15(3)
Ba1 Sb4 Ba1 7_565 2 85.40(2)
In2 Sb4 Ba3 3_656 . 79.52(2)
In2 Sb4 Ba3 6_566 . 79.52(2)
Ba1 Sb4 Ba3 7_565 . 85.867(17)
Ba1 Sb4 Ba3 2 . 85.867(17)
In2 Sb4 Ba4 3_656 . 97.21(2)
In2 Sb4 Ba4 6_566 . 97.21(2)
Ba1 Sb4 Ba4 7_565 . 98.083(19)
Ba1 Sb4 Ba4 2 . 98.083(19)
Ba3 Sb4 Ba4 . . 174.60(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ba1 Sb4 2 3.4343(7)
Ba1 Sb2 8_655 3.5105(7)
Ba1 Sb1 . 3.5115(7)
Ba1 Sb1 5_556 3.5475(7)
Ba1 Sb2 4_455 3.5516(7)
Ba1 Sb3 . 3.6077(7)
Ba1 In1 2 3.9649(7)
Ba1 Ba2 . 4.5821(6)
Ba1 Ba1 8_655 4.6582(10)
Ba1 Ba1 5 4.6795(9)
Ba1 Ba3 2 4.7394(8)
Ba1 Ba3 2_554 4.7537(8)
Ba2 In1 6 3.4100(8)
Ba2 In1 4_465 3.4100(8)
Ba2 In2 8_655 3.4400(8)
Ba2 In2 2 3.4400(8)
Ba2 Sb1 7_565 3.5632(7)
Ba2 Sb1 . 3.5632(7)
Ba2 Sb3 2 3.5649(7)
Ba2 Sb3 . 3.5649(7)
Ba2 Sb2 8_655 3.8291(7)
Ba2 Sb2 2 3.8291(7)
Ba2 Ba5 . 4.2423(10)
Ba2 Ba2 2 4.2711(13)
Ba3 Sb2 3_656 3.4833(7)
Ba3 Sb2 6_566 3.4833(7)
Ba3 Sb3 2_556 3.5169(9)
Ba3 Sb4 . 3.5230(9)
Ba3 Sb1 7_565 3.5527(7)
Ba3 Sb1 2 3.5527(7)
Ba3 In2 3_656 4.0820(8)
Ba3 In2 6_566 4.0820(8)
Ba3 Ba5 . 4.6318(7)
Ba3 Ba1 7_565 4.7394(8)
Ba3 Ba1 2 4.7394(8)
Ba3 Ba1 2_556 4.7537(8)
Ba4 Sb2 6_565 3.6122(6)
Ba4 Sb2 5_665 3.6122(6)
Ba4 Sb2 4_465 3.6122(6)
Ba4 Sb2 3_655 3.6122(6)
Ba4 Sb4 2_565 3.6414(10)
Ba4 Sb4 . 3.6414(10)
Ba5 In1 5_666 3.4173(7)
Ba5 In1 4_466 3.4173(7)
Ba5 In1 3_646 3.4173(7)
Ba5 In1 6_556 3.4173(7)
Ba5 Sb1 . 3.6184(6)
Ba5 Sb1 2 3.6184(6)
Ba5 Sb1 7_565 3.6184(6)
Ba5 Sb1 8_655 3.6184(6)
Ba5 Sb3 2_556 3.6766(10)
Ba5 Sb3 1_556 3.6766(10)
Ba5 Ba2 2 4.2423(10)
In1 Sb1 6_666 2.8296(8)
In1 Sb2 3_655 2.8398(7)
In1 In1 7_575 2.9655(11)
In1 Sb3 6_665 3.0556(7)
In1 Ba2 6_665 3.4100(8)
In1 Ba5 5_666 3.4173(7)
In1 Ba1 2 3.9649(7)
In2 Sb4 6_656 2.7998(7)
In2 In2 7_565 2.8544(11)
In2 Sb1 8_655 2.9279(7)
In2 Sb2 . 2.9620(8)
In2 Ba2 2 3.4400(8)
In2 Ba3 6_656 4.0820(8)
Sb1 In1 6_556 2.8296(8)
Sb1 In2 8_655 2.9279(7)
Sb1 Ba1 5_556 3.5475(7)
Sb1 Ba3 2 3.5527(7)
Sb2 In1 3_645 2.8398(7)
Sb2 Ba3 6_656 3.4833(7)
Sb2 Ba1 8_655 3.5105(7)
Sb2 Ba1 4 3.5516(7)
Sb2 Ba4 5_665 3.6122(6)
Sb2 Ba2 2 3.8291(7)
Sb3 In1 6 3.0556(7)
Sb3 In1 3_645 3.0556(7)
Sb3 Ba3 2_554 3.5169(9)
Sb3 Ba2 2 3.5649(7)
Sb3 Ba1 8_655 3.6077(7)
Sb3 Ba5 1_554 3.6766(10)
Sb4 In2 3_656 2.7998(7)
Sb4 In2 6_566 2.7998(7)
Sb4 Ba1 7_565 3.4343(7)
Sb4 Ba1 2 3.4343(7)
