#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:12:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179317 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/14/4321411.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_4321411
loop_
_publ_author_name
'Allison M. Mills'
'Arthur Mar'
_publ_contact_author_address
; Department of Chemistry
  University of Alberta
  Edmonton, AB
  Canada  T6G 2G2
;
_publ_contact_author_email       arthur.mar@ualberta.ca
_publ_contact_author_fax         '(780) 492-8231'
_publ_contact_author_name        'Arthur Mar'
_publ_contact_author_phone       '(780) 492-5592'
_publ_section_title
;
 Rare-Earth Gallium Antimonides La13Ga8Sb21andRE12Ga4Sb23 (RE = La-Nd,
 Sm): Linking Sb Ribbons by Ga6-Rings or Ga2-Pairs
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4599
_journal_page_last               4607
_journal_paper_doi               10.1021/ic000519w
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         'Ga7.56 La12.85 Sb21'
_chemical_formula_sum            'Ga7.56 La12.85 Sb21'
_chemical_formula_weight         4868.83
_chemical_name_common            'lanthanum gallium antimonide'
_chemical_name_systematic        'lanthanum gallium antimonide'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_atom_sites_solution_hydrogens   geom
_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            1
_cell_length_a                   17.657(2)
_cell_length_b                   17.657(2)
_cell_length_c                   4.3378(7)
_cell_measurement_reflns_used    1146
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      30.35
_cell_measurement_theta_min      1.33
_cell_volume                     1171.2(3)
_computing_cell_refinement       'Bruker SAINT 5.0'
_computing_data_collection       'Bruker SMART 5.051'
_computing_data_reduction        'Bruker SAINT 5.0'
_computing_molecular_graphics    'ATOMS 4.0'
_computing_publication_material  'Bruker SHELXTL 5.1'
_computing_structure_refinement  'Bruker SHELXTL 5.1'
_computing_structure_solution    'Bruker SHELXTL 5.1'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.892
_diffrn_measured_fraction_theta_max 0.892
_diffrn_measurement_device_type  'Bruker P4/RA/SMART-1000 CCD'
_diffrn_measurement_method       'mixture of phi rotations and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1096
_diffrn_reflns_av_sigmaI/netI    0.0529
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       2
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            7046
_diffrn_reflns_theta_full        30.35
_diffrn_reflns_theta_max         30.35
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    27.541
_exptl_absorpt_correction_T_max  0.8095
_exptl_absorpt_correction_T_min  0.6457
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SHELXTL 5.1'
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    6.903
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2038
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         3.799
_refine_diff_density_min         -2.588
_refine_diff_density_rms         0.463
_refine_ls_extinction_coef       0.00007(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.922
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     39
_refine_ls_number_reflns         671
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.922
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0335
_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)+(0.0389P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0845
_reflns_number_gt                404
_reflns_number_total             671
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000519w_2.cif
_cod_data_source_block           p6mmm
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4321411
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z'
'y, -x+y, z'
'x-y, x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
La1 La 0.58274(4) 0.16547(8) 0.5000 0.0073(3) Uani 1 4 d S . .
La2 La 0.16800(4) 0.33600(7) 0.5000 0.0079(3) Uani 1 4 d S . .
La3 La 0.0000 0.0000 0.0000 0.0229(14) Uani 0.859(13) 24 d SP . .
Ga1 Ga 0.1343(2) 0.0000 0.443(2) 0.030(3) Uani 0.471(5) 2 d SP . .
Ga2 Ga 0.3333 0.6667 0.0663(11) 0.011(2) Uani 0.478(9) 6 d SP . .
Sb1 Sb 0.24818(5) 0.49636(10) 0.0000 0.0086(3) Uani 1 4 d S . .
Sb2 Sb 0.24697(7) 0.0000 0.0000 0.0102(3) Uani 1 4 d S . .
Sb3 Sb 0.37508(8) 0.0000 0.5000 0.0167(4) Uani 1 4 d S . .
Sb4 Sb 0.5000 0.0000 0.0000 0.0088(4) Uani 1 8 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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 '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
Ga2 La1 Ga2 72.47(15) 13_666 4_665 ?
Ga2 La1 Sb4 175.63(8) 13_666 . ?
Ga2 La1 Sb4 103.16(7) 4_665 . ?
Ga2 La1 Sb4 103.16(7) 13_666 1_556 ?
Ga2 La1 Sb4 175.63(8) 4_665 1_556 ?
Sb4 La1 Sb4 81.21(3) . 1_556 ?
Ga2 La1 Sb3 127.44(4) 13_666 . ?
Ga2 La1 Sb3 127.44(4) 4_665 . ?
Sb4 La1 Sb3 55.088(19) . . ?
Sb4 La1 Sb3 55.088(19) 1_556 . ?
Ga2 La1 Sb3 127.44(4) 13_666 13_656 ?
Ga2 La1 Sb3 127.44(4) 4_665 13_656 ?
Sb4 La1 Sb3 55.088(19) . 13_656 ?
Sb4 La1 Sb3 55.088(19) 1_556 13_656 ?
Sb3 La1 Sb3 82.16(5) . 13_656 ?
Ga2 La1 Sb1 46.99(4) 13_666 14_556 ?
Ga2 La1 Sb1 94.45(6) 4_665 14_556 ?
Sb4 La1 Sb1 134.65(3) . 14_556 ?
Sb4 La1 Sb1 82.315(14) 1_556 14_556 ?
Sb3 La1 Sb1 80.99(3) . 14_556 ?
Sb3 La1 Sb1 136.19(2) 13_656 14_556 ?
Ga2 La1 Sb1 94.45(6) 13_666 14 ?
Ga2 La1 Sb1 46.99(4) 4_665 14 ?
Sb4 La1 Sb1 82.315(14) . 14 ?
Sb4 La1 Sb1 134.65(3) 1_556 14 ?
Sb3 La1 Sb1 80.99(3) . 14 ?
Sb3 La1 Sb1 136.19(2) 13_656 14 ?
Sb1 La1 Sb1 79.98(2) 14_556 14 ?
Ga2 La1 Sb1 46.99(4) 13_666 15_656 ?
Ga2 La1 Sb1 94.45(6) 4_665 15_656 ?
Sb4 La1 Sb1 134.65(3) . 15_656 ?
Sb4 La1 Sb1 82.315(14) 1_556 15_656 ?
Sb3 La1 Sb1 136.19(2) . 15_656 ?
Sb3 La1 Sb1 80.99(3) 13_656 15_656 ?
Sb1 La1 Sb1 83.86(5) 14_556 15_656 ?
Sb1 La1 Sb1 135.98(5) 14 15_656 ?
Ga2 La1 Sb1 94.45(6) 13_666 15_655 ?
Ga2 La1 Sb1 46.99(4) 4_665 15_655 ?
Sb4 La1 Sb1 82.315(14) . 15_655 ?
Sb4 La1 Sb1 134.65(3) 1_556 15_655 ?
Sb3 La1 Sb1 136.19(2) . 15_655 ?
Sb3 La1 Sb1 80.99(3) 13_656 15_655 ?
Sb1 La1 Sb1 135.98(5) 14_556 15_655 ?
Sb1 La1 Sb1 83.86(5) 14 15_655 ?
Sb1 La1 Sb1 79.98(2) 15_656 15_655 ?
Ga2 La1 Ga2 7.51(13) 13_666 4_666 ?
Ga2 La1 Ga2 79.98(3) 4_665 4_666 ?
Sb4 La1 Ga2 176.86(6) . 4_666 ?
Sb4 La1 Ga2 95.65(6) 1_556 4_666 ?
Sb3 La1 Ga2 123.00(4) . 4_666 ?
Sb3 La1 Ga2 123.00(4) 13_656 4_666 ?
Sb1 La1 Ga2 44.35(3) 14_556 4_666 ?
Sb1 La1 Ga2 100.00(5) 14 4_666 ?
Sb1 La1 Ga2 44.35(3) 15_656 4_666 ?
Sb1 La1 Ga2 100.00(5) 15_655 4_666 ?
Ga2 La1 Ga2 79.98(3) 13_666 13_665 ?
Ga2 La1 Ga2 7.51(13) 4_665 13_665 ?
Sb4 La1 Ga2 95.65(6) . 13_665 ?
Sb4 La1 Ga2 176.86(6) 1_556 13_665 ?
Sb3 La1 Ga2 123.00(4) . 13_665 ?
Sb3 La1 Ga2 123.00(4) 13_656 13_665 ?
Sb1 La1 Ga2 100.00(5) 14_556 13_665 ?
Sb1 La1 Ga2 44.35(3) 14 13_665 ?
Sb1 La1 Ga2 100.00(5) 15_656 13_665 ?
Sb1 La1 Ga2 44.35(3) 15_655 13_665 ?
Ga2 La1 Ga2 87.49(12) 4_666 13_665 ?
Sb1 La2 Sb1 82.98(5) 1_556 . ?
Sb1 La2 Ga1 138.32(14) 1_556 2 ?
Sb1 La2 Ga1 130.36(15) . 2 ?
Sb1 La2 Ga1 130.36(15) 1_556 17_556 ?
Sb1 La2 Ga1 138.32(14) . 17_556 ?
Ga1 La2 Ga1 8.6(3) 2 17_556 ?
Sb1 La2 Ga1 138.32(14) 1_556 6 ?
Sb1 La2 Ga1 130.36(15) . 6 ?
Ga1 La2 Ga1 41.93(10) 2 6 ?
Ga1 La2 Ga1 42.88(12) 17_556 6 ?
Sb1 La2 Ga1 130.36(15) 1_556 15_556 ?
Sb1 La2 Ga1 138.32(14) . 15_556 ?
Ga1 La2 Ga1 42.88(12) 2 15_556 ?
Ga1 La2 Ga1 41.93(10) 17_556 15_556 ?
Ga1 La2 Ga1 8.6(3) 6 15_556 ?
Sb1 La2 Sb2 136.92(3) 1_556 2 ?
Sb1 La2 Sb2 82.87(2) . 2 ?
Ga1 La2 Sb2 48.93(13) 2 2 ?
Ga1 La2 Sb2 55.92(13) 17_556 2 ?
Ga1 La2 Sb2 78.87(11) 6 2 ?
Ga1 La2 Sb2 84.46(12) 15_556 2 ?
Sb1 La2 Sb2 82.87(2) 1_556 2_556 ?
Sb1 La2 Sb2 136.92(3) . 2_556 ?
Ga1 La2 Sb2 55.92(13) 2 2_556 ?
Ga1 La2 Sb2 48.93(13) 17_556 2_556 ?
Ga1 La2 Sb2 84.46(11) 6 2_556 ?
Ga1 La2 Sb2 78.87(11) 15_556 2_556 ?
Sb2 La2 Sb2 80.315(17) 2 2_556 ?
Sb1 La2 Sb2 136.92(3) 1_556 15 ?
Sb1 La2 Sb2 82.87(2) . 15 ?
Ga1 La2 Sb2 78.87(11) 2 15 ?
Ga1 La2 Sb2 84.46(11) 17_556 15 ?
Ga1 La2 Sb2 48.93(13) 6 15 ?
Ga1 La2 Sb2 55.92(13) 15_556 15 ?
Sb2 La2 Sb2 80.83(3) 2 15 ?
Sb2 La2 Sb2 132.25(5) 2_556 15 ?
Sb1 La2 Sb2 82.87(2) 1_556 15_556 ?
Sb1 La2 Sb2 136.92(3) . 15_556 ?
Ga1 La2 Sb2 84.46(11) 2 15_556 ?
Ga1 La2 Sb2 78.87(11) 17_556 15_556 ?
Ga1 La2 Sb2 55.92(13) 6 15_556 ?
Ga1 La2 Sb2 48.93(13) 15_556 15_556 ?
Sb2 La2 Sb2 132.25(5) 2 15_556 ?
Sb2 La2 Sb2 80.83(3) 2_556 15_556 ?
Sb2 La2 Sb2 80.315(17) 15 15_556 ?
Sb1 La2 Sb3 82.35(2) 1_556 2 ?
Sb1 La2 Sb3 82.35(2) . 2 ?
Ga1 La2 Sb3 79.24(5) 2 2 ?
Ga1 La2 Sb3 79.24(5) 17_556 2 ?
Ga1 La2 Sb3 121.16(6) 6 2 ?
Ga1 La2 Sb3 121.16(6) 15_556 2 ?
Sb2 La2 Sb3 55.52(2) 2 2 ?
Sb2 La2 Sb3 55.52(2) 2_556 2 ?
Sb2 La2 Sb3 135.225(18) 15 2 ?
Sb2 La2 Sb3 135.225(18) 15_556 2 ?
Sb1 La2 Sb3 82.35(2) 1_556 15_556 ?
Sb1 La2 Sb3 82.35(2) . 15_556 ?
Ga1 La2 Sb3 121.16(6) 2 15_556 ?
Ga1 La2 Sb3 121.16(6) 17_556 15_556 ?
Ga1 La2 Sb3 79.24(5) 6 15_556 ?
Ga1 La2 Sb3 79.24(5) 15_556 15_556 ?
Sb2 La2 Sb3 135.225(18) 2 15_556 ?
Sb2 La2 Sb3 135.225(18) 2_556 15_556 ?
Sb2 La2 Sb3 55.52(2) 15 15_556 ?
Sb2 La2 Sb3 55.52(2) 15_556 15_556 ?
Sb3 La2 Sb3 159.54(5) 2 15_556 ?
Ga1 La3 Ga1 180.0(3) 6 18 ?
Ga1 La3 Ga1 45.72(9) 6 2 ?
Ga1 La3 Ga1 134.28(9) 18 2 ?
Ga1 La3 Ga1 45.72(9) 6 . ?
Ga1 La3 Ga1 134.28(9) 18 . ?
Ga1 La3 Ga1 84.6(2) 2 . ?
Ga1 La3 Ga1 78.0(3) 6 15 ?
Ga1 La3 Ga1 102.0(3) 18 15 ?
Ga1 La3 Ga1 95.4(2) 2 15 ?
Ga1 La3 Ga1 95.4(2) . 15 ?
Ga1 La3 Ga1 134.28(9) 6 14 ?
Ga1 La3 Ga1 45.72(9) 18 14 ?
Ga1 La3 Ga1 180.0(3) 2 14 ?
Ga1 La3 Ga1 95.4(2) . 14 ?
Ga1 La3 Ga1 84.6(2) 15 14 ?
Ga1 La3 Ga1 134.28(9) 6 13 ?
Ga1 La3 Ga1 45.72(9) 18 13 ?
Ga1 La3 Ga1 95.4(2) 2 13 ?
Ga1 La3 Ga1 180.0(3) . 13 ?
Ga1 La3 Ga1 84.6(2) 15 13 ?
Ga1 La3 Ga1 84.6(2) 14 13 ?
Ga1 La3 Ga1 95.4(2) 6 17 ?
Ga1 La3 Ga1 84.6(2) 18 17 ?
Ga1 La3 Ga1 78.0(3) 2 17 ?
Ga1 La3 Ga1 134.28(9) . 17 ?
Ga1 La3 Ga1 45.72(9) 15 17 ?
Ga1 La3 Ga1 102.0(3) 14 17 ?
Ga1 La3 Ga1 45.72(9) 13 17 ?
Ga1 La3 Ga1 95.4(2) 6 16 ?
Ga1 La3 Ga1 84.6(2) 18 16 ?
Ga1 La3 Ga1 134.28(9) 2 16 ?
Ga1 La3 Ga1 78.0(3) . 16 ?
Ga1 La3 Ga1 45.72(9) 15 16 ?
Ga1 La3 Ga1 45.72(9) 14 16 ?
Ga1 La3 Ga1 102.0(3) 13 16 ?
Ga1 La3 Ga1 84.6(2) 17 16 ?
Ga1 La3 Ga1 102.0(3) 6 3 ?
Ga1 La3 Ga1 78.0(3) 18 3 ?
Ga1 La3 Ga1 84.6(2) 2 3 ?
Ga1 La3 Ga1 84.6(2) . 3 ?
Ga1 La3 Ga1 180.0(2) 15 3 ?
Ga1 La3 Ga1 95.4(2) 14 3 ?
Ga1 La3 Ga1 95.4(2) 13 3 ?
Ga1 La3 Ga1 134.28(9) 17 3 ?
Ga1 La3 Ga1 134.28(9) 16 3 ?
Ga1 La3 Ga1 84.6(2) 6 5 ?
Ga1 La3 Ga1 95.4(2) 18 5 ?
Ga1 La3 Ga1 102.0(3) 2 5 ?
Ga1 La3 Ga1 45.72(9) . 5 ?
Ga1 La3 Ga1 134.28(9) 15 5 ?
Ga1 La3 Ga1 78.0(3) 14 5 ?
Ga1 La3 Ga1 134.28(9) 13 5 ?
Ga1 La3 Ga1 180.00(8) 17 5 ?
Ga1 La3 Ga1 95.4(2) 16 5 ?
Ga1 La3 Ga1 45.72(9) 3 5 ?
Ga1 La3 Ga1 84.6(2) 6 4 ?
Ga1 La3 Ga1 95.4(2) 18 4 ?
Ga1 La3 Ga1 45.72(9) 2 4 ?
Ga1 La3 Ga1 102.0(3) . 4 ?
Ga1 La3 Ga1 134.28(9) 15 4 ?
Ga1 La3 Ga1 134.28(9) 14 4 ?
Ga1 La3 Ga1 78.0(3) 13 4 ?
Ga1 La3 Ga1 95.4(2) 17 4 ?
Ga1 La3 Ga1 180.00(8) 16 4 ?
Ga1 La3 Ga1 45.72(9) 3 4 ?
Ga1 La3 Ga1 84.6(2) 5 4 ?
Ga1 Ga1 Ga1 90.000(6) 16_556 5 ?
Ga1 Ga1 Ga1 90.000(1) 16_556 6 ?
Ga1 Ga1 Ga1 120.0 5 6 ?
Ga1 Ga1 Ga1 78.2(4) 16_556 15_556 ?
Ga1 Ga1 Ga1 119.30(5) 5 15_556 ?
Ga1 Ga1 Ga1 11.8(4) 6 15_556 ?
Ga1 Ga1 Ga1 78.2(4) 16_556 14_556 ?
Ga1 Ga1 Ga1 11.8(4) 5 14_556 ?
Ga1 Ga1 Ga1 119.30(5) 6 14_556 ?
Ga1 Ga1 Ga1 115.9(3) 15_556 14_556 ?
Ga1 Ga1 Sb2 133.99(14) 16_556 . ?
Ga1 Ga1 Sb2 111.08(5) 5 . ?
Ga1 Ga1 Sb2 111.08(5) 6 . ?
Ga1 Ga1 Sb2 119.6(3) 15_556 . ?
Ga1 Ga1 Sb2 119.6(3) 14_556 . ?
Ga1 Ga1 La3 129.01(14) 16_556 . ?
Ga1 Ga1 La3 67.14(5) 5 . ?
Ga1 Ga1 La3 67.14(5) 6 . ?
Ga1 Ga1 La3 75.4(2) 15_556 . ?
Ga1 Ga1 La3 75.4(2) 14_556 . ?
Sb2 Ga1 La3 97.0(3) . . ?
Ga1 Ga1 Sb2 39.46(12) 16_556 1_556 ?
Ga1 Ga1 Sb2 108.53(5) 5 1_556 ?
Ga1 Ga1 Sb2 108.53(5) 6 1_556 ?
Ga1 Ga1 Sb2 98.8(4) 15_556 1_556 ?
Ga1 Ga1 Sb2 98.8(4) 14_556 1_556 ?
Sb2 Ga1 Sb2 94.53(11) . 1_556 ?
La3 Ga1 Sb2 168.5(3) . 1_556 ?
Ga1 Ga1 La2 85.71(15) 16_556 3 ?
Ga1 Ga1 La2 69.04(5) 5 3 ?
Ga1 Ga1 La2 170.06(7) 6 3 ?
Ga1 Ga1 La2 161.6(5) 15_556 3 ?
Ga1 Ga1 La2 68.56(6) 14_556 3 ?
Sb2 Ga1 La2 66.47(8) . 3 ?
La3 Ga1 La2 122.31(16) . 3 ?
Sb2 Ga1 La2 62.84(9) 1_556 3 ?
Ga1 Ga1 La2 85.71(15) 16_556 14_556 ?
Ga1 Ga1 La2 170.06(8) 5 14_556 ?
Ga1 Ga1 La2 69.04(5) 6 14_556 ?
Ga1 Ga1 La2 68.56(6) 15_556 14_556 ?
Ga1 Ga1 La2 161.6(5) 14_556 14_556 ?
Sb2 Ga1 La2 66.47(8) . 14_556 ?
La3 Ga1 La2 122.31(16) . 14_556 ?
Sb2 Ga1 La2 62.84(9) 1_556 14_556 ?
La2 Ga1 La2 101.65(10) 3 14_556 ?
Ga1 Ga1 La3 44.45(11) 16_556 1_556 ?
Ga1 Ga1 La3 69.50(4) 5 1_556 ?
Ga1 Ga1 La3 69.50(4) 6 1_556 ?
Ga1 Ga1 La3 60.7(3) 15_556 1_556 ?
Ga1 Ga1 La3 60.7(3) 14_556 1_556 ?
Sb2 Ga1 La3 178.4(2) . 1_556 ?
La3 Ga1 La3 84.56(9) . 1_556 ?
Sb2 Ga1 La3 83.9(2) 1_556 1_556 ?
La2 Ga1 La3 112.69(18) 3 1_556 ?
La2 Ga1 La3 112.69(18) 14_556 1_556 ?
Ga2 Ga2 Sb1 83.69(11) 16 3_565 ?
Ga2 Ga2 Sb1 83.69(10) 16 2_665 ?
Sb1 Ga2 Sb1 118.81(4) 3_565 2_665 ?
Ga2 Ga2 Sb1 83.69(11) 16 . ?
Sb1 Ga2 Sb1 118.81(4) 3_565 . ?
Sb1 Ga2 Sb1 118.81(4) 2_665 . ?
Ga2 Ga2 La1 126.24(7) 16 13_666 ?
Sb1 Ga2 La1 70.37(4) 3_565 13_666 ?
Sb1 Ga2 La1 70.37(4) 2_665 13_666 ?
Sb1 Ga2 La1 150.07(18) . 13_666 ?
Ga2 Ga2 La1 126.24(8) 16 14_566 ?
Sb1 Ga2 La1 70.37(4) 3_565 14_566 ?
Sb1 Ga2 La1 150.07(18) 2_665 14_566 ?
Sb1 Ga2 La1 70.37(4) . 14_566 ?
La1 Ga2 La1 88.62(10) 13_666 14_566 ?
Ga2 Ga2 La1 126.24(7) 16 15_556 ?
Sb1 Ga2 La1 150.07(18) 3_565 15_556 ?
Sb1 Ga2 La1 70.37(4) 2_665 15_556 ?
Sb1 Ga2 La1 70.37(4) . 15_556 ?
La1 Ga2 La1 88.62(10) 13_666 15_556 ?
La1 Ga2 La1 88.62(10) 14_566 15_556 ?
Ga2 Ga2 La1 46.26(7) 16 14_565 ?
Sb1 Ga2 La1 64.22(6) 3_565 14_565 ?
Sb1 Ga2 La1 129.95(17) 2_665 14_565 ?
Sb1 Ga2 La1 64.22(6) . 14_565 ?
La1 Ga2 La1 134.43(2) 13_666 14_565 ?
La1 Ga2 La1 79.98(3) 14_566 14_565 ?
La1 Ga2 La1 134.43(2) 15_556 14_565 ?
Ga2 Ga2 La1 46.26(6) 16 13_665 ?
Sb1 Ga2 La1 64.22(6) 3_565 13_665 ?
Sb1 Ga2 La1 64.22(6) 2_665 13_665 ?
Sb1 Ga2 La1 129.95(17) . 13_665 ?
La1 Ga2 La1 79.98(3) 13_666 13_665 ?
La1 Ga2 La1 134.43(2) 14_566 13_665 ?
La1 Ga2 La1 134.43(2) 15_556 13_665 ?
La1 Ga2 La1 77.46(9) 14_565 13_665 ?
Ga2 Ga2 La1 46.26(6) 16 15 ?
Sb1 Ga2 La1 129.95(17) 3_565 15 ?
Sb1 Ga2 La1 64.22(6) 2_665 15 ?
Sb1 Ga2 La1 64.22(6) . 15 ?
La1 Ga2 La1 134.43(2) 13_666 15 ?
La1 Ga2 La1 134.43(2) 14_566 15 ?
La1 Ga2 La1 79.98(3) 15_556 15 ?
La1 Ga2 La1 77.46(9) 14_565 15 ?
La1 Ga2 La1 77.46(9) 13_665 15 ?
Ga2 Sb1 Ga2 12.6(2) . 16 ?
Ga2 Sb1 La2 144.81(11) . 1_554 ?
Ga2 Sb1 La2 132.20(11) 16 1_554 ?
Ga2 Sb1 La2 132.20(11) . . ?
Ga2 Sb1 La2 144.81(11) 16 . ?
La2 Sb1 La2 82.98(5) 1_554 . ?
Ga2 Sb1 La1 62.64(8) . 15_556 ?
Ga2 Sb1 La1 71.43(8) 16 15_556 ?
La2 Sb1 La1 135.96(3) 1_554 15_556 ?
La2 Sb1 La1 82.378(17) . 15_556 ?
Ga2 Sb1 La1 71.43(8) . 15 ?
Ga2 Sb1 La1 62.64(8) 16 15 ?
La2 Sb1 La1 82.378(17) 1_554 15 ?
La2 Sb1 La1 135.96(3) . 15 ?
La1 Sb1 La1 79.98(2) 15_556 15 ?
Ga2 Sb1 La1 62.64(8) . 14_566 ?
Ga2 Sb1 La1 71.43(8) 16 14_566 ?
La2 Sb1 La1 135.96(3) 1_554 14_566 ?
La2 Sb1 La1 82.378(17) . 14_566 ?
La1 Sb1 La1 82.40(4) 15_556 14_566 ?
La1 Sb1 La1 133.92(6) 15 14_566 ?
Ga2 Sb1 La1 71.43(8) . 14_565 ?
Ga2 Sb1 La1 62.64(8) 16 14_565 ?
La2 Sb1 La1 82.378(17) 1_554 14_565 ?
La2 Sb1 La1 135.96(3) . 14_565 ?
La1 Sb1 La1 133.92(6) 15_556 14_565 ?
La1 Sb1 La1 82.40(4) 15 14_565 ?
La1 Sb1 La1 79.98(2) 14_566 14_565 ?
Ga1 Sb2 Ga1 88.0(3) 16 . ?
Ga1 Sb2 Ga1 6.5(2) 16 1_554 ?
Ga1 Sb2 Ga1 94.53(11) . 1_554 ?
Ga1 Sb2 Ga1 94.53(11) 16 16_556 ?
Ga1 Sb2 Ga1 6.5(2) . 16_556 ?
Ga1 Sb2 Ga1 101.1(2) 1_554 16_556 ?
Ga1 Sb2 Sb3 179.80(14) 16 . ?
Ga1 Sb2 Sb3 92.21(14) . . ?
Ga1 Sb2 Sb3 173.26(12) 1_554 . ?
Ga1 Sb2 Sb3 85.66(12) 16_556 . ?
Ga1 Sb2 Sb3 92.21(14) 16 1_554 ?
Ga1 Sb2 Sb3 179.80(14) . 1_554 ?
Ga1 Sb2 Sb3 85.66(12) 1_554 1_554 ?
Ga1 Sb2 Sb3 173.26(12) 16_556 1_554 ?
Sb3 Sb2 Sb3 87.59(5) . 1_554 ?
Ga1 Sb2 La2 64.60(8) 16 3_554 ?
Ga1 Sb2 La2 117.83(8) . 3_554 ?
Ga1 Sb2 La2 61.24(6) 1_554 3_554 ?
Ga1 Sb2 La2 120.98(6) 16_556 3_554 ?
Sb3 Sb2 La2 115.30(3) . 3_554 ?
Sb3 Sb2 La2 62.265(18) 1_554 3_554 ?
Ga1 Sb2 La2 117.83(8) 16 3 ?
Ga1 Sb2 La2 64.60(8) . 3 ?
Ga1 Sb2 La2 120.98(6) 1_554 3 ?
Ga1 Sb2 La2 61.24(6) 16_556 3 ?
Sb3 Sb2 La2 62.265(18) . 3 ?
Sb3 Sb2 La2 115.30(3) 1_554 3 ?
La2 Sb2 La2 80.315(17) 3_554 3 ?
Ga1 Sb2 La2 117.83(8) 16 14_556 ?
Ga1 Sb2 La2 64.60(8) . 14_556 ?
Ga1 Sb2 La2 120.98(6) 1_554 14_556 ?
Ga1 Sb2 La2 61.24(6) 16_556 14_556 ?
Sb3 Sb2 La2 62.265(18) . 14_556 ?
Sb3 Sb2 La2 115.30(3) 1_554 14_556 ?
La2 Sb2 La2 176.98(6) 3_554 14_556 ?
La2 Sb2 La2 99.604(16) 3 14_556 ?
Ga1 Sb2 La2 64.60(8) 16 14 ?
Ga1 Sb2 La2 117.83(8) . 14 ?
Ga1 Sb2 La2 61.24(6) 1_554 14 ?
Ga1 Sb2 La2 120.98(6) 16_556 14 ?
Sb3 Sb2 La2 115.30(3) . 14 ?
Sb3 Sb2 La2 62.265(18) 1_554 14 ?
La2 Sb2 La2 99.604(16) 3_554 14 ?
La2 Sb2 La2 176.98(6) 3 14 ?
La2 Sb2 La2 80.315(17) 14_556 14 ?
Sb4 Sb3 Sb4 89.04(4) 1_556 . ?
Sb4 Sb3 Sb2 179.28(4) 1_556 . ?
Sb4 Sb3 Sb2 91.69(2) . . ?
Sb4 Sb3 Sb2 91.69(2) 1_556 1_556 ?
Sb4 Sb3 Sb2 179.28(4) . 1_556 ?
Sb2 Sb3 Sb2 87.59(5) . 1_556 ?
Sb4 Sb3 La1 62.06(2) 1_556 . ?
Sb4 Sb3 La1 62.06(2) . . ?
Sb2 Sb3 La1 118.314(12) . . ?
Sb2 Sb3 La1 118.314(12) 1_556 . ?
Sb4 Sb3 La1 62.06(2) 1_556 13_656 ?
Sb4 Sb3 La1 62.06(2) . 13_656 ?
Sb2 Sb3 La1 118.314(12) . 13_656 ?
Sb2 Sb3 La1 118.314(12) 1_556 13_656 ?
La1 Sb3 La1 97.84(5) . 13_656 ?
Sb4 Sb3 La2 117.421(12) 1_556 3 ?
Sb4 Sb3 La2 117.421(12) . 3 ?
Sb2 Sb3 La2 62.21(3) . 3 ?
Sb2 Sb3 La2 62.21(3) 1_556 3 ?
La1 Sb3 La2 179.15(4) . 3 ?
La1 Sb3 La2 81.31(2) 13_656 3 ?
Sb4 Sb3 La2 117.421(12) 1_556 14_556 ?
Sb4 Sb3 La2 117.421(12) . 14_556 ?
Sb2 Sb3 La2 62.21(3) . 14_556 ?
Sb2 Sb3 La2 62.21(3) 1_556 14_556 ?
La1 Sb3 La2 81.31(2) . 14_556 ?
La1 Sb3 La2 179.15(4) 13_656 14_556 ?
La2 Sb3 La2 99.54(5) 3 14_556 ?
Sb3 Sb4 Sb3 180.00(4) 1_554 13_656 ?
Sb3 Sb4 Sb3 89.04(4) 1_554 . ?
Sb3 Sb4 Sb3 90.96(4) 13_656 . ?
Sb3 Sb4 Sb3 90.96(4) 1_554 13_655 ?
Sb3 Sb4 Sb3 89.04(4) 13_656 13_655 ?
Sb3 Sb4 Sb3 180.00(4) . 13_655 ?
Sb3 Sb4 La1 62.851(15) 1_554 13_655 ?
Sb3 Sb4 La1 117.149(15) 13_656 13_655 ?
Sb3 Sb4 La1 117.149(15) . 13_655 ?
Sb3 Sb4 La1 62.851(15) 13_655 13_655 ?
Sb3 Sb4 La1 117.149(15) 1_554 . ?
Sb3 Sb4 La1 62.851(15) 13_656 . ?
Sb3 Sb4 La1 62.851(15) . . ?
Sb3 Sb4 La1 117.149(15) 13_655 . ?
La1 Sb4 La1 180.00(4) 13_655 . ?
Sb3 Sb4 La1 62.851(15) 1_554 1_554 ?
Sb3 Sb4 La1 117.149(15) 13_656 1_554 ?
Sb3 Sb4 La1 117.149(15) . 1_554 ?
Sb3 Sb4 La1 62.851(15) 13_655 1_554 ?
La1 Sb4 La1 98.79(3) 13_655 1_554 ?
La1 Sb4 La1 81.21(3) . 1_554 ?
Sb3 Sb4 La1 117.149(15) 1_554 13_656 ?
Sb3 Sb4 La1 62.851(15) 13_656 13_656 ?
Sb3 Sb4 La1 62.851(15) . 13_656 ?
Sb3 Sb4 La1 117.149(15) 13_655 13_656 ?
La1 Sb4 La1 81.21(3) 13_655 13_656 ?
La1 Sb4 La1 98.79(3) . 13_656 ?
La1 Sb4 La1 180.00(4) 1_554 13_656 ?
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
La1 Ga2 3.182(3) 13_666 ?
La1 Ga2 3.182(3) 4_665 ?
La1 Sb4 3.3326(9) . ?
La1 Sb4 3.3326(9) 1_556 ?
La1 Sb3 3.3567(14) . ?
La1 Sb3 3.3567(14) 13_656 ?
La1 Sb1 3.3749(8) 14_556 ?
La1 Sb1 3.3749(8) 14 ?
La1 Sb1 3.3749(8) 15_656 ?
La1 Sb1 3.3749(8) 15_655 ?
La1 Ga2 3.553(4) 4_666 ?
La1 Ga2 3.553(4) 13_665 ?
La2 Sb1 3.2737(15) 1_556 ?
La2 Sb1 3.2737(15) . ?
La2 Ga1 3.314(3) 2 ?
La2 Ga1 3.314(3) 17_556 ?
La2 Ga1 3.314(3) 6 ?
La2 Ga1 3.314(3) 15_556 ?
La2 Sb2 3.3632(6) 2 ?
La2 Sb2 3.3632(6) 2_556 ?
La2 Sb2 3.3632(6) 15 ?
La2 Sb2 3.3632(6) 15_556 ?
La2 Sb3 3.3648(11) 2 ?
La2 Sb3 3.3648(11) 15_556 ?
La3 Ga1 3.051(6) 6 ?
La3 Ga1 3.051(6) 18 ?
La3 Ga1 3.051(6) 2 ?
La3 Ga1 3.051(6) . ?
La3 Ga1 3.051(6) 15 ?
La3 Ga1 3.051(6) 14 ?
La3 Ga1 3.051(6) 13 ?
La3 Ga1 3.051(6) 17 ?
La3 Ga1 3.051(6) 16 ?
La3 Ga1 3.051(6) 3 ?
La3 Ga1 3.051(6) 5 ?
La3 Ga1 3.051(6) 4 ?
Ga1 Ga1 0.496(18) 16_556 ?
Ga1 Ga1 2.371(4) 5 ?
Ga1 Ga1 2.371(4) 6 ?
Ga1 Ga1 2.422(5) 15_556 ?
Ga1 Ga1 2.422(5) 14_556 ?
Ga1 Sb2 2.766(7) . ?
Ga1 Sb2 3.131(7) 1_556 ?
Ga1 La2 3.314(3) 3 ?
Ga1 La2 3.314(3) 14_556 ?
Ga1 La3 3.386(7) 1_556 ?
Ga2 Ga2 0.576(10) 16 ?
Ga2 Sb1 2.6200(16) 3_565 ?
Ga2 Sb1 2.6200(17) 2_665 ?
Ga2 Sb1 2.6200(16) . ?
Ga2 La1 3.182(3) 13_666 ?
Ga2 La1 3.182(3) 14_566 ?
Ga2 La1 3.182(3) 15_556 ?
Ga2 La1 3.553(4) 14_565 ?
Ga2 La1 3.553(4) 13_665 ?
Ga2 La1 3.553(4) 15 ?
Sb1 Ga2 2.6200(16) 16 ?
Sb1 La2 3.2737(15) 1_554 ?
Sb1 La1 3.3749(8) 15_556 ?
Sb1 La1 3.3749(8) 15 ?
Sb1 La1 3.3749(8) 14_566 ?
Sb1 La1 3.3749(8) 14_565 ?
Sb2 Ga1 2.766(7) 16 ?
Sb2 Ga1 3.131(7) 1_554 ?
Sb2 Ga1 3.131(7) 16_556 ?
Sb2 Sb3 3.1338(15) . ?
Sb2 Sb3 3.1338(14) 1_554 ?
Sb2 La2 3.3632(6) 3_554 ?
Sb2 La2 3.3632(6) 3 ?
Sb2 La2 3.3632(6) 14_556 ?
Sb2 La2 3.3632(6) 14 ?
Sb3 Sb4 3.0934(11) 1_556 ?
Sb3 Sb4 3.0934(11) . ?
Sb3 Sb2 3.1338(14) 1_556 ?
Sb3 La1 3.3567(14) 13_656 ?
Sb3 La2 3.3648(11) 3 ?
Sb3 La2 3.3648(11) 14_556 ?
Sb4 Sb3 3.0934(11) 1_554 ?
Sb4 Sb3 3.0934(11) 13_656 ?
Sb4 Sb3 3.0934(11) 13_655 ?
Sb4 La1 3.3326(9) 13_655 ?
Sb4 La1 3.3326(9) 1_554 ?
Sb4 La1 3.3326(9) 13_656 ?
