#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/32/4303250.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_4303250
loop_
_publ_author_name
'Monique Tillard'
'Claude Belin'
_publ_contact_author_address
;
Agrégats, Interfaces, Matériaux pour l'Énergie
Institut Charles Gerhardt, UMR 5253 CNRS UM2, CC1502,
Université de Montpellier 2, Sciences et Techniques du Languedoc, 
2 Place Eugène Bataillon, 34095 Montpellier Cedex 5 
France
;
_publ_contact_author_email       mtillard@univ-montp2.fr
_publ_contact_author_fax         '33 (0)467 14 33 04  '
_publ_contact_author_name        'Monique TILLARD'
_publ_contact_author_phone       '33 (0)467 14 48 97  '
_publ_section_title
;
Investigation in the Binary System Yb-Ga: Crystal Structure of the
Ga-Rich Compound YbGa3.34
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9250
_journal_page_last               9257
_journal_paper_doi               10.1021/ic901059q
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'Ga17.81 Yb5.34'
_chemical_formula_sum            'Ga17.81 Yb5.34'
_chemical_formula_weight         2165.76
_chemical_name_common            'Ga3.34 Yb'
_chemical_name_systematic        ytterbium-gallium
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_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            1
_cell_length_a                   4.2049(4)
_cell_length_b                   4.3320(5)
_cell_length_c                   25.691(3)
_cell_measurement_reflns_used    15975
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      34.50
_cell_measurement_theta_min      3.17
_cell_volume                     467.98(9)
_computing_cell_refinement       'CrysAlisRed 171 Oxford Diffraction, 2004'
_computing_data_collection       'CrysAlis 171 Oxford Diffraction, 2004'
_computing_data_reduction        'CrysAlisRed 171 Oxford Diffraction, 2004'
_computing_molecular_graphics    'ORTEP-3 for Windows v.1.075, Farrugia 2002'
_computing_publication_material  'WinGX, Farrugia 1999'
_computing_structure_refinement  'SHELXL-97, Sheldrick, 1997'
_computing_structure_solution    'SHELXS-97, Sheldrick, 1997'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur CCD'
_diffrn_measurement_method       'omega scan'
_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  0.0841
_diffrn_reflns_av_sigmaI/netI    0.0279
_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       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            15975
_diffrn_reflns_theta_full        34.50
_diffrn_reflns_theta_max         34.50
_diffrn_reflns_theta_min         3.17
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    51.477
_exptl_absorpt_correction_T_max  0.68
_exptl_absorpt_correction_T_min  0.03
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
The reflections were corrected for absorption effects using the SCALE3ABS 
numerical procedure included in the CrysAlis RED software.
;
_exptl_crystal_colour            'metallic silver'
_exptl_crystal_density_diffrn    7.685
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             925
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.784
_refine_diff_density_min         -3.021
_refine_diff_density_rms         0.596
_refine_ls_extinction_coef       0.00080(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.270
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_reflns         611
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.269
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0542
_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)+(0.0256P)²+56.3267P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1258
_reflns_number_gt                582
_reflns_number_total             611
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901059q_si_001_1.cif
_cod_data_source_block           YbGa3.34
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     '-I 2 2 '
_cod_database_code               4303250
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x, -y, -z'
'-x, y, -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+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'-x, y, z'
'x, -y, 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+1/2'
'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_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
Yb2 Yb 0.0000 0.0000 0.0000 0.0180(5) Uani 0.670(7) 8 d SP . .
Ga3 Ga 0.5000 0.5000 0.04862(10) 0.0402(9) Uani 1 4 d S . .
Ga1 Ga 0.5000 0.0000 0.09576(10) 0.0399(9) Uani 1 4 d S . .
Ga5 Ga 0.0000 0.0000 0.0543(5) 0.019(4) Uani 0.151(7) 4 d SP . .
Ga6 Ga 0.0000 0.297(5) 0.0304(7) 0.044(5) Uani 0.151(7) 2 d SP . .
Yb1 Yb 0.5000 0.0000 0.35090(4) 0.0188(3) Uani 1 4 d S . .
Ga2 Ga 0.0000 0.0000 0.25137(9) 0.0169(4) Uani 1 4 d S . .
Ga4 Ga 0.5000 0.0000 0.19145(9) 0.0184(5) Uani 1 4 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'
Yb Yb -0.3850 5.5486 '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
Ga5 Yb2 Ga5 180.0 . 9 ?
Ga5 Yb2 Ga6 58.7(8) . . ?
Ga5 Yb2 Ga6 121.3(8) 9 . ?
Ga5 Yb2 Ga6 121.3(8) . 9 ?
Ga5 Yb2 Ga6 58.7(8) 9 9 ?
Ga6 Yb2 Ga6 180.0(11) . 9 ?
Ga5 Yb2 Ga6 121.3(8) . 10 ?
Ga5 Yb2 Ga6 58.7(8) 9 10 ?
Ga6 Yb2 Ga6 62.5(16) . 10 ?
Ga6 Yb2 Ga6 117.5(16) 9 10 ?
Ga5 Yb2 Ga6 58.7(8) . 2 ?
Ga5 Yb2 Ga6 121.3(8) 9 2 ?
Ga6 Yb2 Ga6 117.5(16) . 2 ?
Ga6 Yb2 Ga6 62.5(16) 9 2 ?
Ga6 Yb2 Ga6 180.0(11) 10 2 ?
Ga5 Yb2 Ga6 104.4(3) . 10_545 ?
Ga5 Yb2 Ga6 75.6(3) 9 10_545 ?
Ga6 Yb2 Ga6 163.1(6) . 10_545 ?
Ga6 Yb2 Ga6 16.9(6) 9 10_545 ?
Ga6 Yb2 Ga6 134.4(10) 10 10_545 ?
Ga6 Yb2 Ga6 45.6(10) 2 10_545 ?
Ga5 Yb2 Ga6 75.6(3) . 2_565 ?
Ga5 Yb2 Ga6 104.4(3) 9 2_565 ?
Ga6 Yb2 Ga6 16.9(6) . 2_565 ?
Ga6 Yb2 Ga6 163.1(6) 9 2_565 ?
Ga6 Yb2 Ga6 45.6(10) 10 2_565 ?
Ga6 Yb2 Ga6 134.4(10) 2 2_565 ?
Ga6 Yb2 Ga6 180.0(6) 10_545 2_565 ?
Ga5 Yb2 Ga6 104.4(3) . 9_565 ?
Ga5 Yb2 Ga6 75.6(3) 9 9_565 ?
Ga6 Yb2 Ga6 45.6(10) . 9_565 ?
Ga6 Yb2 Ga6 134.4(10) 9 9_565 ?
Ga6 Yb2 Ga6 16.9(6) 10 9_565 ?
Ga6 Yb2 Ga6 163.1(6) 2 9_565 ?
Ga6 Yb2 Ga6 151.3(6) 10_545 9_565 ?
Ga6 Yb2 Ga6 28.7(6) 2_565 9_565 ?
Ga5 Yb2 Ga6 75.6(3) . 1_545 ?
Ga5 Yb2 Ga6 104.4(3) 9 1_545 ?
Ga6 Yb2 Ga6 134.4(10) . 1_545 ?
Ga6 Yb2 Ga6 45.6(10) 9 1_545 ?
Ga6 Yb2 Ga6 163.1(6) 10 1_545 ?
Ga6 Yb2 Ga6 16.9(6) 2 1_545 ?
Ga6 Yb2 Ga6 28.7(6) 10_545 1_545 ?
Ga6 Yb2 Ga6 151.3(6) 2_565 1_545 ?
Ga6 Yb2 Ga6 180.0(6) 9_565 1_545 ?
Ga5 Yb2 Ga1 40.52(3) . . ?
Ga5 Yb2 Ga1 139.48(3) 9 . ?
Ga6 Yb2 Ga1 66.8(6) . . ?
Ga6 Yb2 Ga1 113.2(6) 9 . ?
Ga6 Yb2 Ga1 113.2(6) 10 . ?
Ga6 Yb2 Ga1 66.8(6) 2 . ?
Ga6 Yb2 Ga1 100.9(2) 10_545 . ?
Ga6 Yb2 Ga1 79.1(2) 2_565 . ?
Ga6 Yb2 Ga1 100.9(2) 9_565 . ?
Ga6 Yb2 Ga1 79.1(2) 1_545 . ?
Ga5 Yb2 Ga1 40.52(3) . 1_455 ?
Ga5 Yb2 Ga1 139.48(3) 9 1_455 ?
Ga6 Yb2 Ga1 66.8(6) . 1_455 ?
Ga6 Yb2 Ga1 113.2(6) 9 1_455 ?
Ga6 Yb2 Ga1 113.2(6) 10 1_455 ?
Ga6 Yb2 Ga1 66.8(6) 2 1_455 ?
Ga6 Yb2 Ga1 100.9(2) 10_545 1_455 ?
Ga6 Yb2 Ga1 79.1(2) 2_565 1_455 ?
Ga6 Yb2 Ga1 100.9(2) 9_565 1_455 ?
Ga6 Yb2 Ga1 79.1(2) 1_545 1_455 ?
Ga1 Yb2 Ga1 81.03(6) . 1_455 ?
Ga6 Ga3 Ga6 156.8(9) . 2_665 ?
Ga6 Ga3 Ga6 44.5(9) . 2_565 ?
Ga6 Ga3 Ga6 129.2(7) 2_665 2_565 ?
Ga6 Ga3 Ga6 129.2(7) . 1_655 ?
Ga6 Ga3 Ga6 44.5(9) 2_665 1_655 ?
Ga6 Ga3 Ga6 156.8(9) 2_565 1_655 ?
Ga6 Ga3 Ga1 115.4(4) . 1_565 ?
Ga6 Ga3 Ga1 76.6(5) 2_665 1_565 ?
Ga6 Ga3 Ga1 76.6(5) 2_565 1_565 ?
Ga6 Ga3 Ga1 115.4(4) 1_655 1_565 ?
Ga6 Ga3 Ga1 76.6(5) . . ?
Ga6 Ga3 Ga1 115.4(4) 2_665 . ?
Ga6 Ga3 Ga1 115.4(4) 2_565 . ?
Ga6 Ga3 Ga1 76.6(5) 1_655 . ?
Ga1 Ga3 Ga1 121.57(15) 1_565 . ?
Ga6 Ga3 Ga3 78.4(4) . 9_665 ?
Ga6 Ga3 Ga3 78.4(4) 2_665 9_665 ?
Ga6 Ga3 Ga3 78.4(4) 2_565 9_665 ?
Ga6 Ga3 Ga3 78.4(4) 1_655 9_665 ?
Ga1 Ga3 Ga3 119.22(7) 1_565 9_665 ?
Ga1 Ga3 Ga3 119.22(7) . 9_665 ?
Ga6 Ga3 Yb2 24.6(4) . . ?
Ga6 Ga3 Yb2 139.1(5) 2_665 . ?
Ga6 Ga3 Yb2 66.0(5) 2_565 . ?
Ga6 Ga3 Yb2 104.7(4) 1_655 . ?
Ga1 Ga3 Yb2 139.934(13) 1_565 . ?
Ga1 Ga3 Yb2 66.92(4) . . ?
Ga3 Ga3 Yb2 67.52(4) 9_665 . ?
Ga6 Ga3 Yb2 139.1(5) . 1_665 ?
Ga6 Ga3 Yb2 24.6(4) 2_665 1_665 ?
Ga6 Ga3 Yb2 104.7(4) 2_565 1_665 ?
Ga6 Ga3 Yb2 66.0(5) 1_655 1_665 ?
Ga1 Ga3 Yb2 66.92(4) 1_565 1_665 ?
Ga1 Ga3 Yb2 139.934(13) . 1_665 ?
Ga3 Ga3 Yb2 67.52(4) 9_665 1_665 ?
Yb2 Ga3 Yb2 135.04(8) . 1_665 ?
Ga6 Ga3 Yb2 104.7(4) . 1_655 ?
Ga6 Ga3 Yb2 66.0(5) 2_665 1_655 ?
Ga6 Ga3 Yb2 139.1(5) 2_565 1_655 ?
Ga6 Ga3 Yb2 24.6(4) 1_655 1_655 ?
Ga1 Ga3 Yb2 139.934(13) 1_565 1_655 ?
Ga1 Ga3 Yb2 66.92(4) . 1_655 ?
Ga3 Ga3 Yb2 67.52(4) 9_665 1_655 ?
Yb2 Ga3 Yb2 80.12(3) . 1_655 ?
Yb2 Ga3 Yb2 83.06(3) 1_665 1_655 ?
Ga6 Ga3 Yb2 66.0(5) . 1_565 ?
Ga6 Ga3 Yb2 104.7(4) 2_665 1_565 ?
Ga6 Ga3 Yb2 24.6(4) 2_565 1_565 ?
Ga6 Ga3 Yb2 139.1(5) 1_655 1_565 ?
Ga1 Ga3 Yb2 66.92(4) 1_565 1_565 ?
Ga1 Ga3 Yb2 139.934(13) . 1_565 ?
Ga3 Ga3 Yb2 67.52(4) 9_665 1_565 ?
Yb2 Ga3 Yb2 83.06(3) . 1_565 ?
Yb2 Ga3 Yb2 80.12(3) 1_665 1_565 ?
Yb2 Ga3 Yb2 135.04(8) 1_655 1_565 ?
Ga6 Ga3 Yb1 136.6(5) . 13_655 ?
Ga6 Ga3 Yb1 65.5(4) 2_665 13_655 ?
Ga6 Ga3 Yb1 136.6(5) 2_565 13_655 ?
Ga6 Ga3 Yb1 65.5(4) 1_655 13_655 ?
Ga1 Ga3 Yb1 67.76(6) 1_565 13_655 ?
Ga1 Ga3 Yb1 67.76(6) . 13_655 ?
Ga3 Ga3 Yb1 140.84(3) 9_665 13_655 ?
Yb2 Ga3 Yb1 134.66(4) . 13_655 ?
Yb2 Ga3 Yb1 83.686(18) 1_665 13_655 ?
Yb2 Ga3 Yb1 83.686(18) 1_655 13_655 ?
Yb2 Ga3 Yb1 134.66(4) 1_565 13_655 ?
Ga5 Ga1 Ga5 126.3(6) . 1_655 ?
Ga5 Ga1 Ga4 116.9(3) . . ?
Ga5 Ga1 Ga4 116.9(3) 1_655 . ?
Ga5 Ga1 Ga3 77.26(14) . 1_545 ?
Ga5 Ga1 Ga3 77.26(14) 1_655 1_545 ?
Ga4 Ga1 Ga3 119.22(7) . 1_545 ?
Ga5 Ga1 Ga3 77.26(14) . . ?
Ga5 Ga1 Ga3 77.26(14) 1_655 . ?
Ga4 Ga1 Ga3 119.22(7) . . ?
Ga3 Ga1 Ga3 121.57(15) 1_545 . ?
Ga5 Ga1 Yb2 22.6(3) . . ?
Ga5 Ga1 Yb2 103.6(3) 1_655 . ?
Ga4 Ga1 Yb2 139.48(3) . . ?
Ga3 Ga1 Yb2 68.22(6) 1_545 . ?
Ga3 Ga1 Yb2 68.22(6) . . ?
Ga5 Ga1 Yb2 103.6(3) . 1_655 ?
Ga5 Ga1 Yb2 22.6(3) 1_655 1_655 ?
Ga4 Ga1 Yb2 139.48(3) . 1_655 ?
Ga3 Ga1 Yb2 68.22(6) 1_545 1_655 ?
Ga3 Ga1 Yb2 68.22(6) . 1_655 ?
Yb2 Ga1 Yb2 81.03(6) . 1_655 ?
Ga5 Ga1 Yb1 138.81(4) . 13_655 ?
Ga5 Ga1 Yb1 67.7(2) 1_655 13_655 ?
Ga4 Ga1 Yb1 65.59(4) . 13_655 ?
Ga3 Ga1 Yb1 140.535(11) 1_545 13_655 ?
Ga3 Ga1 Yb1 68.37(4) . 13_655 ?
Yb2 Ga1 Yb1 136.57(4) . 13_655 ?
Yb2 Ga1 Yb1 84.387(19) 1_655 13_655 ?
Ga5 Ga1 Yb1 67.7(2) . 13_545 ?
Ga5 Ga1 Yb1 138.81(4) 1_655 13_545 ?
Ga4 Ga1 Yb1 65.59(4) . 13_545 ?
Ga3 Ga1 Yb1 68.37(4) 1_545 13_545 ?
Ga3 Ga1 Yb1 140.535(11) . 13_545 ?
Yb2 Ga1 Yb1 84.387(19) . 13_545 ?
Yb2 Ga1 Yb1 136.57(4) 1_655 13_545 ?
Yb1 Ga1 Yb1 131.17(8) 13_655 13_545 ?
Ga5 Ga1 Yb1 138.81(4) . 13_645 ?
Ga5 Ga1 Yb1 67.7(2) 1_655 13_645 ?
Ga4 Ga1 Yb1 65.59(4) . 13_645 ?
Ga3 Ga1 Yb1 68.37(4) 1_545 13_645 ?
Ga3 Ga1 Yb1 140.535(11) . 13_645 ?
Yb2 Ga1 Yb1 136.57(4) . 13_645 ?
Yb2 Ga1 Yb1 84.387(19) 1_655 13_645 ?
Yb1 Ga1 Yb1 81.60(3) 13_655 13_645 ?
Yb1 Ga1 Yb1 78.73(3) 13_545 13_645 ?
Ga5 Ga1 Yb1 67.7(2) . 13 ?
Ga5 Ga1 Yb1 138.81(4) 1_655 13 ?
Ga4 Ga1 Yb1 65.59(4) . 13 ?
Ga3 Ga1 Yb1 140.535(11) 1_545 13 ?
Ga3 Ga1 Yb1 68.37(4) . 13 ?
Yb2 Ga1 Yb1 84.387(19) . 13 ?
Yb2 Ga1 Yb1 136.57(4) 1_655 13 ?
Yb1 Ga1 Yb1 78.73(3) 13_655 13 ?
Yb1 Ga1 Yb1 81.60(3) 13_545 13 ?
Yb1 Ga1 Yb1 131.17(8) 13_645 13 ?
Yb2 Ga5 Ga6 64.4(8) . 2 ?
Yb2 Ga5 Ga6 64.4(8) . . ?
Ga6 Ga5 Ga6 128.9(15) 2 . ?
Yb2 Ga5 Ga1 116.9(3) . . ?
Ga6 Ga5 Ga1 101.2(3) 2 . ?
Ga6 Ga5 Ga1 101.2(3) . . ?
Yb2 Ga5 Ga1 116.9(3) . 1_455 ?
Ga6 Ga5 Ga1 101.2(3) 2 1_455 ?
Ga6 Ga5 Ga1 101.2(3) . 1_455 ?
Ga1 Ga5 Ga1 126.3(6) . 1_455 ?
Yb2 Ga5 Ga6 30.6(5) . 9 ?
Ga6 Ga5 Ga6 33.9(9) 2 9 ?
Ga6 Ga5 Ga6 95.0(10) . 9 ?
Ga1 Ga5 Ga6 112.9(2) . 9 ?
Ga1 Ga5 Ga6 112.9(2) 1_455 9 ?
Yb2 Ga5 Ga6 30.6(5) . 10 ?
Ga6 Ga5 Ga6 95.0(10) 2 10 ?
Ga6 Ga5 Ga6 33.9(9) . 10 ?
Ga1 Ga5 Ga6 112.9(2) . 10 ?
Ga1 Ga5 Ga6 112.9(2) 1_455 10 ?
Ga6 Ga5 Ga6 61.1(11) 9 10 ?
Yb2 Ga5 Ga5 0.0 . 9 ?
Ga6 Ga5 Ga5 64.4(8) 2 9 ?
Ga6 Ga5 Ga5 64.4(8) . 9 ?
Ga1 Ga5 Ga5 116.9(3) . 9 ?
Ga1 Ga5 Ga5 116.9(3) 1_455 9 ?
Ga6 Ga5 Ga5 30.6(5) 9 9 ?
Ga6 Ga5 Ga5 30.6(5) 10 9 ?
Yb2 Ga5 Yb1 138.35(16) . 13 ?
Ga6 Ga5 Yb1 157.2(9) 2 13 ?
Ga6 Ga5 Yb1 73.9(7) . 13 ?
Ga1 Ga5 Yb1 70.3(3) . 13 ?
Ga1 Ga5 Yb1 70.3(3) 1_455 13 ?
Ga6 Ga5 Yb1 168.9(6) 9 13 ?
Ga6 Ga5 Yb1 107.8(5) 10 13 ?
Ga5 Ga5 Yb1 138.35(16) 9 13 ?
Yb2 Ga5 Yb1 138.35(16) . 13_545 ?
Ga6 Ga5 Yb1 73.9(7) 2 13_545 ?
Ga6 Ga5 Yb1 157.2(9) . 13_545 ?
Ga1 Ga5 Yb1 70.3(3) . 13_545 ?
Ga1 Ga5 Yb1 70.3(3) 1_455 13_545 ?
Ga6 Ga5 Yb1 107.8(5) 9 13_545 ?
Ga6 Ga5 Yb1 168.9(6) 10 13_545 ?
Ga5 Ga5 Yb1 138.35(16) 9 13_545 ?
Yb1 Ga5 Yb1 83.3(3) 13 13_545 ?
Ga5 Ga6 Yb2 56.8(9) . . ?
Ga5 Ga6 Ga6 115.6(8) . 10 ?
Yb2 Ga6 Ga6 58.7(8) . 10 ?
Ga5 Ga6 Ga6 154.4(8) . 2_565 ?
Yb2 Ga6 Ga6 148.7(8) . 2_565 ?
Ga6 Ga6 Ga6 90.0 10 2_565 ?
Ga5 Ga6 Ga3 104.7(6) . . ?
Yb2 Ga6 Ga3 115.3(4) . . ?
Ga6 Ga6 Ga3 101.6(4) 10 . ?
Ga6 Ga6 Ga3 67.8(5) 2_565 . ?
Ga5 Ga6 Ga3 104.7(6) . 1_455 ?
Yb2 Ga6 Ga3 115.3(4) . 1_455 ?
Ga6 Ga6 Ga3 101.6(4) 10 1_455 ?
Ga6 Ga6 Ga3 67.8(5) 2_565 1_455 ?
Ga3 Ga6 Ga3 129.2(7) . 1_455 ?
Ga5 Ga6 Ga6 164.0(14) . 9_565 ?
Yb2 Ga6 Ga6 107.2(11) . 9_565 ?
Ga6 Ga6 Ga6 48.5(7) 10 9_565 ?
Ga6 Ga6 Ga6 41.5(7) 2_565 9_565 ?
Ga3 Ga6 Ga6 81.4(6) . 9_565 ?
Ga3 Ga6 Ga6 81.4(6) 1_455 9_565 ?
Ga5 Ga6 Ga5 85.0(10) . 9 ?
Yb2 Ga6 Ga5 28.2(4) . 9 ?
Ga6 Ga6 Ga5 30.6(5) 10 9 ?
Ga6 Ga6 Ga5 120.6(5) 2_565 9 ?
Ga3 Ga6 Ga5 111.5(4) . 9 ?
Ga3 Ga6 Ga5 111.5(4) 1_455 9 ?
Ga6 Ga6 Ga5 79.0(8) 9_565 9 ?
Ga5 Ga6 Ga6 25.6(8) . 2 ?
Yb2 Ga6 Ga6 31.3(8) . 2 ?
Ga6 Ga6 Ga6 90.0 10 2 ?
Ga6 Ga6 Ga6 180.000(2) 2_565 2 ?
Ga3 Ga6 Ga6 112.2(5) . 2 ?
Ga3 Ga6 Ga6 112.2(5) 1_455 2 ?
Ga6 Ga6 Ga6 138.5(7) 9_565 2 ?
Ga5 Ga6 Ga6 59.4(5) 9 2 ?
Ga5 Ga6 Yb2 168.8(10) . 1_565 ?
Yb2 Ga6 Yb2 134.4(10) . 1_565 ?
Ga6 Ga6 Yb2 75.6(3) 10 1_565 ?
Ga6 Ga6 Yb2 14.4(3) 2_565 1_565 ?
Ga3 Ga6 Yb2 71.5(5) . 1_565 ?
Ga3 Ga6 Yb2 71.5(5) 1_455 1_565 ?
Ga6 Ga6 Yb2 27.2(5) 9_565 1_565 ?
Ga5 Ga6 Yb2 106.2(7) 9 1_565 ?
Ga6 Ga6 Yb2 165.6(3) 2 1_565 ?
Ga5 Ga6 Yb1 80.5(8) . 13 ?
Yb2 Ga6 Yb1 137.4(11) . 13 ?
Ga6 Ga6 Yb1 163.9(4) 10 13 ?
Ga6 Ga6 Yb1 73.9(4) 2_565 13 ?
Ga3 Ga6 Yb1 72.6(4) . 13 ?
Ga3 Ga6 Yb1 72.6(4) 1_455 13 ?
Ga6 Ga6 Yb1 115.4(9) 9_565 13 ?
Ga5 Ga6 Yb1 165.5(9) 9 13 ?
Ga6 Ga6 Yb1 106.1(4) 2 13 ?
Yb2 Ga6 Yb1 88.3(4) 1_565 13 ?
Ga6 Yb1 Ga6 32.2(8) 13 14_545 ?
Ga6 Yb1 Ga4 120.9(3) 13 13_545 ?
Ga6 Yb1 Ga4 98.0(3) 14_545 13_545 ?
Ga6 Yb1 Ga4 98.0(3) 13 13_655 ?
Ga6 Yb1 Ga4 120.9(3) 14_545 13_655 ?
Ga4 Yb1 Ga4 140.35(8) 13_545 13_655 ?
Ga6 Yb1 Ga4 98.0(3) 13 13 ?
Ga6 Yb1 Ga4 120.9(3) 14_545 13 ?
Ga4 Yb1 Ga4 84.91(3) 13_545 13 ?
Ga4 Yb1 Ga4 81.87(3) 13_655 13 ?
Ga6 Yb1 Ga4 120.9(3) 13 13_645 ?
Ga6 Yb1 Ga4 98.0(3) 14_545 13_645 ?
Ga4 Yb1 Ga4 81.87(3) 13_545 13_645 ?
Ga4 Yb1 Ga4 84.91(3) 13_655 13_645 ?
Ga4 Yb1 Ga4 140.35(8) 13 13_645 ?
Ga6 Yb1 Ga5 25.5(4) 13 13 ?
Ga6 Yb1 Ga5 57.8(4) 14_545 13 ?
Ga4 Yb1 Ga5 134.59(7) 13_545 13 ?
Ga4 Yb1 Ga5 78.74(12) 13_655 13 ?
Ga4 Yb1 Ga5 78.74(12) 13 13 ?
Ga4 Yb1 Ga5 134.59(7) 13_645 13 ?
Ga6 Yb1 Ga5 57.8(4) 13 13_545 ?
Ga6 Yb1 Ga5 25.5(4) 14_545 13_545 ?
Ga4 Yb1 Ga5 78.74(12) 13_545 13_545 ?
Ga4 Yb1 Ga5 134.59(7) 13_655 13_545 ?
Ga4 Yb1 Ga5 134.59(7) 13 13_545 ?
Ga4 Yb1 Ga5 78.74(12) 13_645 13_545 ?
Ga5 Yb1 Ga5 83.3(3) 13 13_545 ?
Ga6 Yb1 Ga2 137.91(13) 13 . ?
Ga6 Yb1 Ga2 137.91(13) 14_545 . ?
Ga4 Yb1 Ga2 47.31(3) 13_545 . ?
Ga4 Yb1 Ga2 98.87(4) 13_655 . ?
Ga4 Yb1 Ga2 47.31(3) 13 . ?
Ga4 Yb1 Ga2 98.87(4) 13_645 . ?
Ga5 Yb1 Ga2 125.25(10) 13 . ?
Ga5 Yb1 Ga2 125.25(10) 13_545 . ?
Ga6 Yb1 Ga2 137.91(13) 13 1_655 ?
Ga6 Yb1 Ga2 137.91(13) 14_545 1_655 ?
Ga4 Yb1 Ga2 98.87(4) 13_545 1_655 ?
Ga4 Yb1 Ga2 47.31(3) 13_655 1_655 ?
Ga4 Yb1 Ga2 98.87(4) 13 1_655 ?
Ga4 Yb1 Ga2 47.31(3) 13_645 1_655 ?
Ga5 Yb1 Ga2 125.25(10) 13 1_655 ?
Ga5 Yb1 Ga2 125.25(10) 13_545 1_655 ?
Ga2 Yb1 Ga2 78.85(5) . 1_655 ?
Ga6 Yb1 Ga1 54.7(2) 13 13_655 ?
Ga6 Yb1 Ga1 77.5(3) 14_545 13_655 ?
Ga4 Yb1 Ga1 175.41(6) 13_545 13_655 ?
Ga4 Yb1 Ga1 44.24(6) 13_655 13_655 ?
Ga4 Yb1 Ga1 96.58(2) 13 13_655 ?
Ga4 Yb1 Ga1 99.54(2) 13_645 13_655 ?
Ga5 Yb1 Ga1 42.01(6) 13 13_655 ?
Ga5 Yb1 Ga1 97.20(13) 13_545 13_655 ?
Ga2 Yb1 Ga1 136.22(3) . 13_655 ?
Ga2 Yb1 Ga1 85.21(4) 1_655 13_655 ?
Ga6 Yb1 Ga1 77.5(3) 13 13_545 ?
Ga6 Yb1 Ga1 54.7(2) 14_545 13_545 ?
Ga4 Yb1 Ga1 44.24(6) 13_545 13_545 ?
Ga4 Yb1 Ga1 175.41(6) 13_655 13_545 ?
Ga4 Yb1 Ga1 99.54(2) 13 13_545 ?
Ga4 Yb1 Ga1 96.58(2) 13_645 13_545 ?
Ga5 Yb1 Ga1 97.20(13) 13 13_545 ?
Ga5 Yb1 Ga1 42.01(6) 13_545 13_545 ?
Ga2 Yb1 Ga1 85.21(4) . 13_545 ?
Ga2 Yb1 Ga1 136.22(3) 1_655 13_545 ?
Ga1 Yb1 Ga1 131.17(8) 13_655 13_545 ?
Ga4 Ga2 Ga4 107.58(11) 1_455 . ?
Ga4 Ga2 Ga4 109.36(4) 1_455 13 ?
Ga4 Ga2 Ga4 109.36(4) . 13 ?
Ga4 Ga2 Ga4 109.36(4) 1_455 13_545 ?
Ga4 Ga2 Ga4 109.36(4) . 13_545 ?
Ga4 Ga2 Ga4 111.71(11) 13 13_545 ?
Ga4 Ga2 Yb1 165.63(8) 1_455 . ?
Ga4 Ga2 Yb1 86.78(4) . . ?
Ga4 Ga2 Yb1 64.30(5) 13 . ?
Ga4 Ga2 Yb1 64.30(5) 13_545 . ?
Ga4 Ga2 Yb1 86.78(4) 1_455 1_455 ?
Ga4 Ga2 Yb1 165.63(8) . 1_455 ?
Ga4 Ga2 Yb1 64.30(5) 13 1_455 ?
Ga4 Ga2 Yb1 64.30(5) 13_545 1_455 ?
Yb1 Ga2 Yb1 78.85(5) . 1_455 ?
Ga4 Ga2 Yb1 62.88(5) 1_455 13_545 ?
Ga4 Ga2 Yb1 62.88(5) . 13_545 ?
Ga4 Ga2 Yb1 163.65(8) 13 13_545 ?
Ga4 Ga2 Yb1 84.65(5) 13_545 13_545 ?
Yb1 Ga2 Yb1 126.586(13) . 13_545 ?
Yb1 Ga2 Yb1 126.586(13) 1_455 13_545 ?
Ga4 Ga2 Yb1 62.88(5) 1_455 13 ?
Ga4 Ga2 Yb1 62.88(5) . 13 ?
Ga4 Ga2 Yb1 84.65(5) 13 13 ?
Ga4 Ga2 Yb1 163.65(8) 13_545 13 ?
Yb1 Ga2 Yb1 126.586(13) . 13 ?
Yb1 Ga2 Yb1 126.586(13) 1_455 13 ?
Yb1 Ga2 Yb1 79.00(5) 13_545 13 ?
Ga1 Ga4 Ga2 126.21(6) . 1_655 ?
Ga1 Ga4 Ga2 126.21(6) . . ?
Ga2 Ga4 Ga2 107.58(11) 1_655 . ?
Ga1 Ga4 Ga2 124.15(6) . 13 ?
Ga2 Ga4 Ga2 70.64(4) 1_655 13 ?
Ga2 Ga4 Ga2 70.64(4) . 13 ?
Ga1 Ga4 Ga2 124.15(6) . 13_545 ?
Ga2 Ga4 Ga2 70.64(4) 1_655 13_545 ?
Ga2 Ga4 Ga2 70.64(4) . 13_545 ?
Ga2 Ga4 Ga2 111.71(11) 13 13_545 ?
Ga1 Ga4 Yb1 70.18(4) . 13_545 ?
Ga2 Ga4 Yb1 136.80(3) 1_655 13_545 ?
Ga2 Ga4 Yb1 70.83(3) . 13_545 ?
Ga2 Ga4 Yb1 138.51(3) 13 13_545 ?
Ga2 Ga4 Yb1 68.39(3) 13_545 13_545 ?
Ga1 Ga4 Yb1 70.18(4) . 13_655 ?
Ga2 Ga4 Yb1 70.83(3) 1_655 13_655 ?
Ga2 Ga4 Yb1 136.80(3) . 13_655 ?
Ga2 Ga4 Yb1 68.39(3) 13 13_655 ?
Ga2 Ga4 Yb1 138.51(3) 13_545 13_655 ?
Yb1 Ga4 Yb1 140.35(8) 13_545 13_655 ?
Ga1 Ga4 Yb1 70.18(4) . 13_645 ?
Ga2 Ga4 Yb1 70.83(3) 1_655 13_645 ?
Ga2 Ga4 Yb1 136.80(3) . 13_645 ?
Ga2 Ga4 Yb1 138.51(3) 13 13_645 ?
Ga2 Ga4 Yb1 68.39(3) 13_545 13_645 ?
Yb1 Ga4 Yb1 81.87(3) 13_545 13_645 ?
Yb1 Ga4 Yb1 84.91(3) 13_655 13_645 ?
Ga1 Ga4 Yb1 70.18(4) . 13 ?
Ga2 Ga4 Yb1 136.80(3) 1_655 13 ?
Ga2 Ga4 Yb1 70.83(3) . 13 ?
Ga2 Ga4 Yb1 68.39(3) 13 13 ?
Ga2 Ga4 Yb1 138.51(3) 13_545 13 ?
Yb1 Ga4 Yb1 84.91(3) 13_545 13 ?
Yb1 Ga4 Yb1 81.87(3) 13_655 13 ?
Yb1 Ga4 Yb1 140.35(8) 13_645 13 ?
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
Yb2 Ga5 1.395(14) . ?
Yb2 Ga5 1.395(14) 9 ?
Yb2 Ga6 1.503(16) . ?
Yb2 Ga6 1.503(16) 9 ?
Yb2 Ga6 1.503(16) 10 ?
Yb2 Ga6 1.503(16) 2 ?
Yb2 Ga6 3.15(2) 10_545 ?
Yb2 Ga6 3.15(2) 2_565 ?
Yb2 Ga6 3.15(2) 9_565 ?
Yb2 Ga6 3.15(2) 1_545 ?
Yb2 Ga1 3.236(2) . ?
Yb2 Ga1 3.236(2) 1_455 ?
Ga3 Ga6 2.327(7) . ?
Ga3 Ga6 2.327(7) 2_665 ?
Ga3 Ga6 2.327(7) 2_565 ?
Ga3 Ga6 2.327(7) 1_655 ?
Ga3 Ga1 2.4817(18) 1_565 ?
Ga3 Ga1 2.4817(18) . ?
Ga3 Ga3 2.498(5) 9_665 ?
Ga3 Yb2 3.2668(10) 1_665 ?
Ga3 Yb2 3.2668(10) 1_655 ?
Ga3 Yb2 3.2668(10) 1_565 ?
Ga3 Yb1 3.329(2) 13_655 ?
Ga1 Ga5 2.357(6) . ?
Ga1 Ga5 2.357(6) 1_655 ?
Ga1 Ga4 2.458(3) . ?
Ga1 Ga3 2.4817(18) 1_545 ?
Ga1 Yb2 3.236(2) 1_655 ?
Ga1 Yb1 3.3150(11) 13_655 ?
Ga1 Yb1 3.3150(11) 13_545 ?
Ga1 Yb1 3.3150(11) 13_645 ?
Ga1 Yb1 3.3150(11) 13 ?
Ga5 Ga6 1.42(2) 2 ?
Ga5 Ga6 1.42(2) . ?
Ga5 Ga1 2.357(6) 1_455 ?
Ga5 Ga6 2.527(19) 9 ?
Ga5 Ga6 2.527(19) 10 ?
Ga5 Ga5 2.79(3) 9 ?
Ga5 Yb1 3.259(10) 13 ?
Ga5 Yb1 3.259(10) 13_545 ?
Ga6 Ga6 1.56(3) 10 ?
Ga6 Ga6 1.76(4) 2_565 ?
Ga6 Ga3 2.327(7) 1_455 ?
Ga6 Ga6 2.35(4) 9_565 ?
Ga6 Ga5 2.527(19) 9 ?
Ga6 Ga6 2.57(4) 2 ?
Ga6 Yb2 3.15(2) 1_565 ?
Ga6 Yb1 3.175(16) 13 ?
Yb1 Ga6 3.175(16) 13 ?
Yb1 Ga6 3.175(16) 14_545 ?
Yb1 Ga4 3.2087(8) 13_545 ?
Yb1 Ga4 3.2087(8) 13_655 ?
Yb1 Ga4 3.2087(8) 13 ?
Yb1 Ga4 3.2087(8) 13_645 ?
Yb1 Ga5 3.259(10) 13 ?
Yb1 Ga5 3.259(10) 13_545 ?
Yb1 Ga2 3.3106(18) . ?
Yb1 Ga2 3.3106(18) 1_655 ?
Yb1 Ga1 3.3150(11) 13_655 ?
Yb1 Ga1 3.3150(11) 13_545 ?
Ga2 Ga4 2.6057(19) 1_455 ?
Ga2 Ga4 2.6057(19) . ?
Ga2 Ga4 2.6172(18) 13 ?
Ga2 Ga4 2.6172(18) 13_545 ?
Ga2 Yb1 3.3106(18) 1_455 ?
Ga2 Yb1 3.4051(19) 13_545 ?
Ga2 Yb1 3.4051(19) 13 ?
Ga4 Ga2 2.6057(19) 1_655 ?
Ga4 Ga2 2.6172(18) 13 ?
Ga4 Ga2 2.6172(18) 13_545 ?
Ga4 Yb1 3.2087(8) 13_545 ?
Ga4 Yb1 3.2087(8) 13_655 ?
Ga4 Yb1 3.2087(8) 13_645 ?
Ga4 Yb1 3.2087(8) 13 ?
