#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:06:50 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179952 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/47/7024710.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_7024710
loop_
_publ_author_name
'Bobev, Svilen'
'Hullmann, Jonathan'
'Harmening, Thomas'
'Pöttgen, Rainer'
_publ_section_title
;
 Novel ternary alkaline-earth and rare-earth metal antimonides from
 gallium or indium flux. Synthesis, structural characterization and 121Sb
 and 151Eu Mössbauer spectroscopy of the series A7Ga8Sb8 (A = Sr, Ba,
 Eu) and Ba7In8Sb8.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6049
_journal_page_last               6055
_journal_paper_doi               10.1039/b920583g
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'Ba0.88 Ga Sb'
_chemical_formula_sum            'Ba0.88 Ga Sb'
_chemical_formula_weight         311.64
_chemical_name_systematic
;
?
;
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_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                120.00
_cell_formula_units_Z            4
_cell_length_a                   4.7045(12)
_cell_length_b                   4.7045(12)
_cell_length_c                   18.123(9)
_cell_measurement_reflns_used    3577
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.7
_cell_measurement_theta_min      2.3
_cell_volume                     347.4(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0171
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            3577
_diffrn_reflns_theta_full        27.73
_diffrn_reflns_theta_max         27.73
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    24.946
_exptl_absorpt_correction_T_max  0.4278
_exptl_absorpt_correction_T_min  0.3998
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Sheldrick, 2003)
;
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    5.959
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.022
_refine_diff_density_min         -1.983
_refine_diff_density_rms         0.292
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.352
_refine_ls_matrix_type           full
_refine_ls_number_parameters     17
_refine_ls_number_reflns         198
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.352
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0172P)²+14.8320P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0916
_reflns_number_gt                168
_reflns_number_total             198
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b920583g.txt
_cod_data_source_block           Ba0.875GaSb
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               7024710
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, 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
Ba1 Ba 0.0000 0.0000 0.2500 0.0153(6) Uani 0.75 12 d SP
Ba2 Ba 0.0000 0.0000 0.0000 0.0159(5) Uani 1 12 d S
Sb1 Sb 0.3333 0.6667 0.12318(8) 0.0175(5) Uani 1 6 d S
Ga1 Ga 0.6667 0.3333 0.1594(4) 0.055(2) Uani 0.50 6 d SP
Ga2 Ga 0.8223(16) 0.1777(16) 0.2915(5) 0.032(2) Uani 0.17 2 d SP
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'
Ba Ba -0.3244 2.2819 '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'
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
Ga2 Ba1 Ga2 127.33(18) 17_546 3_665
Ga2 Ba1 Ga2 100.4(4) 17_546 18_666
Ga2 Ba1 Ga2 54.9(7) 3_665 18_666
Ga2 Ba1 Ga2 54.9(7) 17_546 2_545
Ga2 Ba1 Ga2 100.4(4) 3_665 2_545
Ga2 Ba1 Ga2 127.33(18) 18_666 2_545
Ga2 Ba1 Ga2 100.4(4) 17_546 16_456
Ga2 Ba1 Ga2 127.33(18) 3_665 16_456
Ga2 Ba1 Ga2 100.4(4) 18_666 16_456
Ga2 Ba1 Ga2 127.33(18) 2_545 16_456
Ga2 Ba1 Ga2 127.33(18) 17_546 1_455
Ga2 Ba1 Ga2 100.4(4) 3_665 1_455
Ga2 Ba1 Ga2 127.33(18) 18_666 1_455
Ga2 Ba1 Ga2 100.4(4) 2_545 1_455
Ga2 Ba1 Ga2 54.9(7) 16_456 1_455
Ga2 Ba1 Ga1 98.1(3) 17_546 .
Ga2 Ba1 Ga1 58.6(4) 3_665 .
Ga2 Ba1 Ga1 3.7(4) 18_666 .
Ga2 Ba1 Ga1 128.19(12) 2_545 .
Ga2 Ba1 Ga1 98.1(3) 16_456 .
Ga2 Ba1 Ga1 128.19(12) 1_455 .
Ga2 Ba1 Ga1 128.19(12) 17_546 16_556
Ga2 Ba1 Ga1 3.7(4) 3_665 16_556
Ga2 Ba1 Ga1 58.6(4) 18_666 16_556
Ga2 Ba1 Ga1 98.1(3) 2_545 16_556
Ga2 Ba1 Ga1 128.19(12) 16_456 16_556
Ga2 Ba1 Ga1 98.1(3) 1_455 16_556
Ga1 Ba1 Ga1 62.3(2) . 16_556
Ga2 Ba1 Ga1 3.7(4) 17_546 1_445
Ga2 Ba1 Ga1 128.19(12) 3_665 1_445
Ga2 Ba1 Ga1 98.1(3) 18_666 1_445
Ga2 Ba1 Ga1 58.6(4) 2_545 1_445
Ga2 Ba1 Ga1 98.1(3) 16_456 1_445
Ga2 Ba1 Ga1 128.19(12) 1_455 1_445
Ga1 Ba1 Ga1 95.67(16) . 1_445
Ga1 Ba1 Ga1 129.33(7) 16_556 1_445
Ga2 Ba1 Ga1 58.6(4) 17_546 16_446
Ga2 Ba1 Ga1 98.1(3) 3_665 16_446
Ga2 Ba1 Ga1 128.19(12) 18_666 16_446
Ga2 Ba1 Ga1 3.7(4) 2_545 16_446
Ga2 Ba1 Ga1 128.19(12) 16_456 16_446
Ga2 Ba1 Ga1 98.1(3) 1_455 16_446
Ga1 Ba1 Ga1 129.33(7) . 16_446
Ga1 Ba1 Ga1 95.67(16) 16_556 16_446
Ga1 Ba1 Ga1 62.3(2) 1_445 16_446
Ga2 Ba1 Ga1 128.19(12) 17_546 16_456
Ga2 Ba1 Ga1 98.1(3) 3_665 16_456
Ga2 Ba1 Ga1 128.19(12) 18_666 16_456
Ga2 Ba1 Ga1 98.1(3) 2_545 16_456
Ga2 Ba1 Ga1 58.6(4) 16_456 16_456
Ga2 Ba1 Ga1 3.7(4) 1_455 16_456
Ga1 Ba1 Ga1 129.33(7) . 16_456
Ga1 Ba1 Ga1 95.67(16) 16_556 16_456
Ga1 Ba1 Ga1 129.33(7) 1_445 16_456
Ga1 Ba1 Ga1 95.67(16) 16_446 16_456
Ga2 Ba1 Ga1 98.1(3) 17_546 1_455
Ga2 Ba1 Ga1 128.19(12) 3_665 1_455
Ga2 Ba1 Ga1 98.1(3) 18_666 1_455
Ga2 Ba1 Ga1 128.19(12) 2_545 1_455
Ga2 Ba1 Ga1 3.7(4) 16_456 1_455
Ga2 Ba1 Ga1 58.6(4) 1_455 1_455
Ga1 Ba1 Ga1 95.67(16) . 1_455
Ga1 Ba1 Ga1 129.33(7) 16_556 1_455
Ga1 Ba1 Ga1 95.67(16) 1_445 1_455
Ga1 Ba1 Ga1 129.33(7) 16_446 1_455
Ga1 Ba1 Ga1 62.3(2) 16_456 1_455
Sb1 Ba2 Sb1 83.99(4) 13 13_665
Sb1 Ba2 Sb1 96.01(4) 13 1_445
Sb1 Ba2 Sb1 180.00(4) 13_665 1_445
Sb1 Ba2 Sb1 180.00(4) 13 .
Sb1 Ba2 Sb1 96.01(4) 13_665 .
Sb1 Ba2 Sb1 83.99(4) 1_445 .
Sb1 Ba2 Sb1 83.99(4) 13 13_565
Sb1 Ba2 Sb1 83.99(4) 13_665 13_565
Sb1 Ba2 Sb1 96.01(4) 1_445 13_565
Sb1 Ba2 Sb1 96.01(4) . 13_565
Sb1 Ba2 Sb1 96.01(4) 13 1_545
Sb1 Ba2 Sb1 96.01(4) 13_665 1_545
Sb1 Ba2 Sb1 83.99(4) 1_445 1_545
Sb1 Ba2 Sb1 83.99(4) . 1_545
Sb1 Ba2 Sb1 180.00(4) 13_565 1_545
Sb1 Ba2 Ba1 129.42(2) 13 .
Sb1 Ba2 Ba1 129.42(2) 13_665 .
Sb1 Ba2 Ba1 50.58(2) 1_445 .
Sb1 Ba2 Ba1 50.58(2) . .
Sb1 Ba2 Ba1 129.42(2) 13_565 .
Sb1 Ba2 Ba1 50.58(2) 1_545 .
Sb1 Ba2 Ba1 50.58(2) 13 13
Sb1 Ba2 Ba1 50.58(2) 13_665 13
Sb1 Ba2 Ba1 129.42(2) 1_445 13
Sb1 Ba2 Ba1 129.42(2) . 13
Sb1 Ba2 Ba1 50.58(2) 13_565 13
Sb1 Ba2 Ba1 129.42(2) 1_545 13
Ba1 Ba2 Ba1 180.0 . 13
Sb1 Ba2 Ba2 48.006(18) 13 1_445
Sb1 Ba2 Ba2 131.994(18) 13_665 1_445
Sb1 Ba2 Ba2 48.006(18) 1_445 1_445
Sb1 Ba2 Ba2 131.994(18) . 1_445
Sb1 Ba2 Ba2 90.0 13_565 1_445
Sb1 Ba2 Ba2 90.0 1_545 1_445
Ba1 Ba2 Ba2 90.0 . 1_445
Ba1 Ba2 Ba2 90.0 13 1_445
Sb1 Ba2 Ba2 131.994(18) 13 1_665
Sb1 Ba2 Ba2 48.006(18) 13_665 1_665
Sb1 Ba2 Ba2 131.994(18) 1_445 1_665
Sb1 Ba2 Ba2 48.006(18) . 1_665
Sb1 Ba2 Ba2 90.0 13_565 1_665
Sb1 Ba2 Ba2 90.0 1_545 1_665
Ba1 Ba2 Ba2 90.0 . 1_665
Ba1 Ba2 Ba2 90.0 13 1_665
Ba2 Ba2 Ba2 180.0 1_445 1_665
Sb1 Ba2 Ba2 131.994(18) 13 1_565
Sb1 Ba2 Ba2 90.0 13_665 1_565
Sb1 Ba2 Ba2 90.000(1) 1_445 1_565
Sb1 Ba2 Ba2 48.006(18) . 1_565
Sb1 Ba2 Ba2 48.006(18) 13_565 1_565
Sb1 Ba2 Ba2 131.994(18) 1_545 1_565
Ba1 Ba2 Ba2 90.0 . 1_565
Ba1 Ba2 Ba2 90.0 13 1_565
Ba2 Ba2 Ba2 120.0 1_445 1_565
Ba2 Ba2 Ba2 60.0 1_665 1_565
Sb1 Ba2 Ba2 90.0 13 1_455
Sb1 Ba2 Ba2 131.994(18) 13_665 1_455
Sb1 Ba2 Ba2 48.006(18) 1_445 1_455
Sb1 Ba2 Ba2 90.0 . 1_455
Sb1 Ba2 Ba2 48.006(18) 13_565 1_455
Sb1 Ba2 Ba2 131.994(18) 1_545 1_455
Ba1 Ba2 Ba2 90.0 . 1_455
Ba1 Ba2 Ba2 90.0 13 1_455
Ba2 Ba2 Ba2 60.0 1_445 1_455
Ba2 Ba2 Ba2 120.0 1_665 1_455
Ba2 Ba2 Ba2 60.0 1_565 1_455
Ga1 Sb1 Ga1 114.65(12) 1_565 1_455
Ga1 Sb1 Ga1 114.65(12) 1_565 .
Ga1 Sb1 Ga1 114.65(12) 1_455 .
Ga1 Sb1 Ga2 84.4(3) 1_565 17_656
Ga1 Sb1 Ga2 124.0(3) 1_455 17_656
Ga1 Sb1 Ga2 32.0(3) . 17_656
Ga1 Sb1 Ga2 124.0(3) 1_565 18_666
Ga1 Sb1 Ga2 84.4(3) 1_455 18_666
Ga1 Sb1 Ga2 32.0(3) . 18_666
Ga2 Sb1 Ga2 45.9(5) 17_656 18_666
Ga1 Sb1 Ga2 32.0(3) 1_565 16_566
Ga1 Sb1 Ga2 124.0(3) 1_455 16_566
Ga1 Sb1 Ga2 84.4(3) . 16_566
Ga2 Sb1 Ga2 52.9(5) 17_656 16_566
Ga2 Sb1 Ga2 92.8(2) 18_666 16_566
Ga1 Sb1 Ga2 124.0(3) 1_565 16_456
Ga1 Sb1 Ga2 32.0(3) 1_455 16_456
Ga1 Sb1 Ga2 84.4(3) . 16_456
Ga2 Sb1 Ga2 92.8(2) 17_656 16_456
Ga2 Sb1 Ga2 52.9(5) 18_666 16_456
Ga2 Sb1 Ga2 113.3(3) 16_566 16_456
Ga1 Sb1 Ga2 32.0(3) 1_565 18_676
Ga1 Sb1 Ga2 84.4(3) 1_455 18_676
Ga1 Sb1 Ga2 124.0(3) . 18_676
Ga2 Sb1 Ga2 92.8(2) 17_656 18_676
Ga2 Sb1 Ga2 113.3(3) 18_666 18_676
Ga2 Sb1 Ga2 45.9(5) 16_566 18_676
Ga2 Sb1 Ga2 92.8(2) 16_456 18_676
Ga1 Sb1 Ga2 84.4(3) 1_565 17_556
Ga1 Sb1 Ga2 32.0(3) 1_455 17_556
Ga1 Sb1 Ga2 124.0(3) . 17_556
Ga2 Sb1 Ga2 113.3(3) 17_656 17_556
Ga2 Sb1 Ga2 92.8(2) 18_666 17_556
Ga2 Sb1 Ga2 92.8(2) 16_566 17_556
Ga2 Sb1 Ga2 45.9(5) 16_456 17_556
Ga2 Sb1 Ga2 52.9(5) 18_676 17_556
Ga1 Sb1 Ba2 154.18(16) 1_565 .
Ga1 Sb1 Ba2 76.93(11) 1_455 .
Ga1 Sb1 Ba2 76.93(11) . .
Ga2 Sb1 Ba2 108.9(2) 17_656 .
Ga2 Sb1 Ba2 78.58(18) 18_666 .
Ga2 Sb1 Ba2 156.9(2) 16_566 .
Ga2 Sb1 Ba2 78.58(18) 16_456 .
Ga2 Sb1 Ba2 156.9(2) 18_676 .
Ga2 Sb1 Ba2 108.9(2) 17_556 .
Ga1 Sb1 Ba2 76.93(11) 1_565 1_565
Ga1 Sb1 Ba2 76.93(11) 1_455 1_565
Ga1 Sb1 Ba2 154.19(16) . 1_565
Ga2 Sb1 Ba2 156.9(2) 17_656 1_565
Ga2 Sb1 Ba2 156.9(3) 18_666 1_565
Ga2 Sb1 Ba2 108.9(2) 16_566 1_565
Ga2 Sb1 Ba2 108.9(2) 16_456 1_565
Ga2 Sb1 Ba2 78.58(18) 18_676 1_565
Ga2 Sb1 Ba2 78.58(18) 17_556 1_565
Ba2 Sb1 Ba2 83.99(4) . 1_565
Ga1 Sb1 Ba2 76.93(11) 1_565 1_665
Ga1 Sb1 Ba2 154.18(16) 1_455 1_665
Ga1 Sb1 Ba2 76.93(11) . 1_665
Ga2 Sb1 Ba2 78.58(18) 17_656 1_665
Ga2 Sb1 Ba2 108.9(2) 18_666 1_665
Ga2 Sb1 Ba2 78.58(18) 16_566 1_665
Ga2 Sb1 Ba2 156.9(2) 16_456 1_665
Ga2 Sb1 Ba2 108.9(2) 18_676 1_665
Ga2 Sb1 Ba2 156.9(2) 17_556 1_665
Ba2 Sb1 Ba2 83.99(4) . 1_665
Ba2 Sb1 Ba2 83.99(4) 1_565 1_665
Ga2 Ga1 Ga2 90.3(6) 16_556 17_656
Ga2 Ga1 Ga2 90.3(6) 16_556 18_666
Ga2 Ga1 Ga2 90.3(6) 17_656 18_666
Ga2 Ga1 Ga2 27.1(4) 16_556 .
Ga2 Ga1 Ga2 71.6(5) 17_656 .
Ga2 Ga1 Ga2 71.6(5) 18_666 .
Ga2 Ga1 Ga2 71.6(5) 16_556 2_655
Ga2 Ga1 Ga2 27.1(4) 17_656 2_655
Ga2 Ga1 Ga2 71.6(5) 18_666 2_655
Ga2 Ga1 Ga2 47.8(5) . 2_655
Ga2 Ga1 Ga2 71.6(5) 16_556 3_665
Ga2 Ga1 Ga2 71.6(5) 17_656 3_665
Ga2 Ga1 Ga2 27.1(4) 18_666 3_665
Ga2 Ga1 Ga2 47.8(5) . 3_665
Ga2 Ga1 Ga2 47.8(5) 2_655 3_665
Ga2 Ga1 Sb1 158.6(5) 16_556 .
Ga2 Ga1 Sb1 74.75(19) 17_656 .
Ga2 Ga1 Sb1 74.75(19) 18_666 .
Ga2 Ga1 Sb1 131.5(4) . .
Ga2 Ga1 Sb1 88.87(17) 2_655 .
Ga2 Ga1 Sb1 88.87(17) 3_665 .
Ga2 Ga1 Sb1 74.75(19) 16_556 1_545
Ga2 Ga1 Sb1 158.6(5) 17_656 1_545
Ga2 Ga1 Sb1 74.75(19) 18_666 1_545
Ga2 Ga1 Sb1 88.87(17) . 1_545
Ga2 Ga1 Sb1 131.5(4) 2_655 1_545
Ga2 Ga1 Sb1 88.87(17) 3_665 1_545
Sb1 Ga1 Sb1 114.65(12) . 1_545
Ga2 Ga1 Sb1 74.75(19) 16_556 1_655
Ga2 Ga1 Sb1 74.75(19) 17_656 1_655
Ga2 Ga1 Sb1 158.6(5) 18_666 1_655
Ga2 Ga1 Sb1 88.87(17) . 1_655
Ga2 Ga1 Sb1 88.87(17) 2_655 1_655
Ga2 Ga1 Sb1 131.5(4) 3_665 1_655
Sb1 Ga1 Sb1 114.65(12) . 1_655
Sb1 Ga1 Sb1 114.65(12) 1_545 1_655
Ga2 Ga1 Ba1 93.1(3) 16_556 1_665
Ga2 Ga1 Ba1 3.9(4) 17_656 1_665
Ga2 Ga1 Ba1 93.1(3) 18_666 1_665
Ga2 Ga1 Ba1 75.1(2) . 1_665
Ga2 Ga1 Ba1 30.9(3) 2_655 1_665
Ga2 Ga1 Ba1 75.1(2) 3_665 1_665
Sb1 Ga1 Ba1 72.88(5) . 1_665
Sb1 Ga1 Ba1 162.5(3) 1_545 1_665
Sb1 Ga1 Ba1 72.88(5) 1_655 1_665
Ga2 Ga1 Ba1 3.9(4) 16_556 1_655
Ga2 Ga1 Ba1 93.1(3) 17_656 1_655
Ga2 Ga1 Ba1 93.1(3) 18_666 1_655
Ga2 Ga1 Ba1 30.9(3) . 1_655
Ga2 Ga1 Ba1 75.1(2) 2_655 1_655
Ga2 Ga1 Ba1 75.1(2) 3_665 1_655
Sb1 Ga1 Ba1 162.5(3) . 1_655
Sb1 Ga1 Ba1 72.88(5) 1_545 1_655
Sb1 Ga1 Ba1 72.88(5) 1_655 1_655
Ba1 Ga1 Ba1 95.67(16) 1_665 1_655
Ga2 Ga1 Ba1 93.1(3) 16_556 .
Ga2 Ga1 Ba1 93.1(3) 17_656 .
Ga2 Ga1 Ba1 3.9(4) 18_666 .
Ga2 Ga1 Ba1 75.1(2) . .
Ga2 Ga1 Ba1 75.1(2) 2_655 .
Ga2 Ga1 Ba1 30.9(3) 3_665 .
Sb1 Ga1 Ba1 72.88(5) . .
Sb1 Ga1 Ba1 72.88(5) 1_545 .
Sb1 Ga1 Ba1 162.5(3) 1_655 .
Ba1 Ga1 Ba1 95.67(16) 1_665 .
Ba1 Ga1 Ba1 95.67(16) 1_655 .
Ga2 Ga2 Ga1 125.0(4) 16_556 16_556
Ga2 Ga2 Ba1 62.5(4) 16_556 1_655
Ga1 Ga2 Ba1 172.4(8) 16_556 1_655
Ga2 Ga2 Ga2 90.000(2) 16_556 3_665
Ga1 Ga2 Ga2 44.8(3) 16_556 3_665
Ba1 Ga2 Ga2 140.2(2) 1_655 3_665
Ga2 Ga2 Ga2 90.000(2) 16_556 2_655
Ga1 Ga2 Ga2 44.8(3) 16_556 2_655
Ba1 Ga2 Ga2 140.2(2) 1_655 2_655
Ga2 Ga2 Ga2 59.999(6) 3_665 2_655
Ga2 Ga2 Ga2 90.002(1) 16_556 3_765
Ga1 Ga2 Ga2 135.2(3) 16_556 3_765
Ba1 Ga2 Ga2 39.8(2) 1_655 3_765
Ga2 Ga2 Ga2 179.999(4) 3_665 3_765
Ga2 Ga2 Ga2 120.000(4) 2_655 3_765
Ga2 Ga2 Ga2 90.002(1) 16_556 2_645
Ga1 Ga2 Ga2 135.2(3) 16_556 2_645
Ba1 Ga2 Ga2 39.8(2) 1_655 2_645
Ga2 Ga2 Ga2 120.000(3) 3_665 2_645
Ga2 Ga2 Ga2 179.999(6) 2_655 2_645
Ga2 Ga2 Ga2 60.001(2) 3_765 2_645
Ga2 Ga2 Ga2 55.6(4) 16_556 18_666
Ga1 Ga2 Ga2 74.9(5) 16_556 18_666
Ba1 Ga2 Ga2 111.9(5) 1_655 18_666
Ga2 Ga2 Ga2 34.4(4) 3_665 18_666
Ga2 Ga2 Ga2 65.64(13) 2_655 18_666
Ga2 Ga2 Ga2 145.6(4) 3_765 18_666
Ga2 Ga2 Ga2 114.36(14) 2_645 18_666
Ga2 Ga2 Ga2 55.6(4) 16_556 17_656
Ga1 Ga2 Ga2 74.9(5) 16_556 17_656
Ba1 Ga2 Ga2 111.9(5) 1_655 17_656
Ga2 Ga2 Ga2 65.64(13) 3_665 17_656
Ga2 Ga2 Ga2 34.4(4) 2_655 17_656
Ga2 Ga2 Ga2 114.36(14) 3_765 17_656
Ga2 Ga2 Ga2 145.6(4) 2_645 17_656
Ga2 Ga2 Ga2 48.7(3) 18_666 17_656
Ga2 Ga2 Ga1 27.9(3) 16_556 .
Ga1 Ga2 Ga1 97.1(6) 16_556 .
Ba1 Ga2 Ga1 90.4(4) 1_655 .
Ga2 Ga2 Ga1 66.1(2) 3_665 .
Ga2 Ga2 Ga1 66.1(2) 2_655 .
Ga2 Ga2 Ga1 113.9(2) 3_765 .
Ga2 Ga2 Ga1 113.9(2) 2_645 .
Ga2 Ga2 Ga1 33.5(3) 18_666 .
Ga2 Ga2 Ga1 33.5(3) 17_656 .
Ga2 Ga2 Sb1 123.29(16) 16_556 16_656
Ga1 Ga2 Sb1 73.2(3) 16_556 16_656
Ba1 Ga2 Sb1 103.0(4) 1_655 16_656
Ga2 Ga2 Sb1 116.4(3) 3_665 16_656
Ga2 Ga2 Sb1 67.0(3) 2_655 16_656
Ga2 Ga2 Sb1 63.6(3) 3_765 16_656
Ga2 Ga2 Sb1 113.0(3) 2_645 16_656
Ga2 Ga2 Sb1 132.7(3) 18_666 16_656
Ga2 Ga2 Sb1 89.4(4) 17_656 16_656
Ga1 Ga2 Sb1 120.0(2) . 16_656
Ga2 Ga2 Sb1 123.29(16) 16_556 16_546
Ga1 Ga2 Sb1 73.2(3) 16_556 16_546
Ba1 Ga2 Sb1 103.0(4) 1_655 16_546
Ga2 Ga2 Sb1 67.0(3) 3_665 16_546
Ga2 Ga2 Sb1 116.4(3) 2_655 16_546
Ga2 Ga2 Sb1 113.0(3) 3_765 16_546
Ga2 Ga2 Sb1 63.6(3) 2_645 16_546
Ga2 Ga2 Sb1 89.4(4) 18_666 16_546
Ga2 Ga2 Sb1 132.7(3) 17_656 16_546
Ga1 Ga2 Sb1 120.0(2) . 16_546
Sb1 Ga2 Sb1 113.3(3) 16_656 16_546
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 Ga2 1.632(12) 17_546
Ba1 Ga2 1.632(12) 3_665
Ba1 Ga2 1.632(12) 18_666
Ba1 Ga2 1.632(12) 2_545
Ba1 Ga2 1.632(12) 16_456
Ba1 Ga2 1.632(12) 1_455
Ba1 Ga1 3.174(4) .
Ba1 Ga1 3.174(4) 16_556
Ba1 Ga1 3.174(4) 1_445
Ba1 Ga1 3.174(4) 16_446
Ba1 Ga1 3.174(4) 16_456
Ba1 Ga1 3.174(4) 1_455
Ba2 Sb1 3.5158(13) 13
Ba2 Sb1 3.5158(13) 13_665
Ba2 Sb1 3.5158(13) 1_445
Ba2 Sb1 3.5158(13) .
Ba2 Sb1 3.5158(13) 13_565
Ba2 Sb1 3.5158(13) 1_545
Sb1 Ga1 2.795(2) 1_565
Sb1 Ga1 2.795(2) 1_455
Sb1 Ga1 2.795(2) .
Sb1 Ga2 2.816(5) 17_656
Sb1 Ga2 2.816(5) 18_666
Sb1 Ga2 2.816(5) 16_566
Sb1 Ga2 2.816(5) 16_456
Sb1 Ga2 2.816(5) 18_676
Sb1 Ga2 2.816(5) 17_556
Sb1 Ba2 3.5158(13) 1_565
Sb1 Ba2 3.5158(13) 1_665
Ga1 Ga2 1.548(12) 16_556
Ga1 Ga2 1.548(12) 17_656
Ga1 Ga2 1.548(12) 18_666
Ga1 Ga2 2.709(13) .
Ga1 Ga2 2.709(13) 2_655
Ga1 Ga2 2.709(13) 3_665
Ga1 Sb1 2.795(2) 1_545
Ga1 Sb1 2.795(2) 1_655
Ga1 Ba1 3.174(4) 1_665
Ga1 Ba1 3.174(4) 1_655
Ga2 Ga2 1.505(18) 16_556
Ga2 Ga1 1.548(12) 16_556
Ga2 Ba1 1.632(12) 1_655
Ga2 Ga2 2.20(2) 3_665
Ga2 Ga2 2.20(2) 2_655
Ga2 Ga2 2.51(2) 3_765
Ga2 Ga2 2.51(2) 2_645
Ga2 Ga2 2.66(2) 18_666
Ga2 Ga2 2.66(2) 17_656
Ga2 Sb1 2.816(5) 16_656
Ga2 Sb1 2.816(5) 16_546
