#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:02:38 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179610 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/74/4507418.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_4507418
loop_
_publ_author_name
'Subbarao, Udumula'
'Peter, Sebastian C.'
_publ_section_title
;
 Crystal Growth and Properties of YbCuGa3: First Monoclinic System in the
 RETX3Family
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              953
_journal_paper_doi               10.1021/cg301765f
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'Cu Ga3 Yb'
_chemical_formula_weight         454.85
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.834(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6891(8)
_cell_length_b                   4.1620(4)
_cell_length_c                   8.3196(7)
_cell_measurement_reflns_used    1367
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.46
_cell_measurement_theta_min      2.62
_cell_volume                     378.28(6)
_computing_cell_refinement       'SMART APEX II'
_computing_data_collection       'SMART APEX II (Bruker,2010)'
_computing_data_reduction        'SAINT (Bruker,2000)'
_computing_molecular_graphics    'Ortep-3v2 for windows (Farrugia, 1997)'
_computing_publication_material  'PLATON (Spek, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0544
_diffrn_reflns_av_sigmaI/netI    0.0424
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            1367
_diffrn_reflns_theta_full        23.46
_diffrn_reflns_theta_max         23.46
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    50.840
_exptl_absorpt_correction_T_max  0.1854
_exptl_absorpt_correction_T_min  0.0153
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    7.827
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         4.083
_refine_diff_density_min         -3.717
_refine_diff_density_rms         0.910
_refine_ls_extinction_coef       0.0043(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.237
_refine_ls_matrix_type           full
_refine_ls_number_parameters     34
_refine_ls_number_reflns         322
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.237
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0689
_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)+(0.1074P)²+110.9380P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2345
_refine_ls_wR_factor_ref         0.2377
_reflns_number_gt                218
_reflns_number_total             322
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg301765f_si_002.cif
_cod_data_source_block           ga
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_cell_volume        378.28(5)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4507418
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Yb1 Yb 0.0000 0.0000 0.5000 0.0131(15) Uani 1 4 d S
Yb2 Yb 0.0000 0.0000 0.0000 0.0132(15) Uani 1 4 d S
Cu1 Cu 0.8893(5) 0.5000 0.1942(7) 0.0136(16) Uani 1 2 d S
Ga1 Ga 0.7504(4) 0.0000 0.1250(6) 0.0155(18) Uani 1 2 d S
Ga2 Ga 0.2500(4) 0.0000 0.3751(6) 0.0147(18) Uani 1 2 d S
Ga3 Ga 0.8890(4) 0.5000 0.6947(6) 0.0118(16) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Ga3 Yb1 Ga3 180.00(13) 5_656 1_455
Ga3 Yb1 Ga3 81.65(10) 5_656 5_666
Ga3 Yb1 Ga3 98.35(10) 1_455 5_666
Ga3 Yb1 Ga3 98.35(10) 5_656 1_445
Ga3 Yb1 Ga3 81.65(10) 1_455 1_445
Ga3 Yb1 Ga3 180.0 5_666 1_445
Ga3 Yb1 Cu1 135.28(13) 5_656 5_666
Ga3 Yb1 Cu1 44.72(13) 1_455 5_666
Ga3 Yb1 Cu1 81.72(10) 5_666 5_666
Ga3 Yb1 Cu1 98.28(10) 1_445 5_666
Ga3 Yb1 Cu1 44.72(13) 5_656 1_445
Ga3 Yb1 Cu1 135.28(13) 1_455 1_445
Ga3 Yb1 Cu1 98.28(10) 5_666 1_445
Ga3 Yb1 Cu1 81.72(10) 1_445 1_445
Cu1 Yb1 Cu1 180.0 5_666 1_445
Ga3 Yb1 Cu1 81.72(10) 5_656 5_656
Ga3 Yb1 Cu1 98.28(10) 1_455 5_656
Ga3 Yb1 Cu1 135.28(13) 5_666 5_656
Ga3 Yb1 Cu1 44.72(13) 1_445 5_656
Cu1 Yb1 Cu1 81.63(12) 5_666 5_656
Cu1 Yb1 Cu1 98.37(12) 1_445 5_656
Ga3 Yb1 Cu1 98.28(10) 5_656 1_455
Ga3 Yb1 Cu1 81.72(10) 1_455 1_455
Ga3 Yb1 Cu1 44.72(13) 5_666 1_455
Ga3 Yb1 Cu1 135.28(13) 1_445 1_455
Cu1 Yb1 Cu1 98.37(12) 5_666 1_455
Cu1 Yb1 Cu1 81.63(12) 1_445 1_455
Cu1 Yb1 Cu1 180.0 5_656 1_455
Ga3 Yb1 Ga1 95.39(10) 5_656 5_656
Ga3 Yb1 Ga1 84.61(10) 1_455 5_656
Ga3 Yb1 Ga1 95.39(10) 5_666 5_656
Ga3 Yb1 Ga1 84.61(10) 1_445 5_656
Cu1 Yb1 Ga1 45.64(8) 5_666 5_656
Cu1 Yb1 Ga1 134.36(8) 1_445 5_656
Cu1 Yb1 Ga1 45.64(8) 5_656 5_656
Cu1 Yb1 Ga1 134.36(8) 1_455 5_656
Ga3 Yb1 Ga1 84.61(10) 5_656 1_455
Ga3 Yb1 Ga1 95.39(10) 1_455 1_455
Ga3 Yb1 Ga1 84.61(10) 5_666 1_455
Ga3 Yb1 Ga1 95.39(10) 1_445 1_455
Cu1 Yb1 Ga1 134.36(8) 5_666 1_455
Cu1 Yb1 Ga1 45.64(8) 1_445 1_455
Cu1 Yb1 Ga1 134.36(8) 5_656 1_455
Cu1 Yb1 Ga1 45.64(8) 1_455 1_455
Ga1 Yb1 Ga1 180.0 5_656 1_455
Ga3 Yb1 Ga2 45.65(7) 5_656 .
Ga3 Yb1 Ga2 134.35(7) 1_455 .
Ga3 Yb1 Ga2 45.65(7) 5_666 .
Ga3 Yb1 Ga2 134.35(7) 1_445 .
Cu1 Yb1 Ga2 95.39(11) 5_666 .
Cu1 Yb1 Ga2 84.61(11) 1_445 .
Cu1 Yb1 Ga2 95.39(11) 5_656 .
Cu1 Yb1 Ga2 84.61(11) 1_455 .
Ga1 Yb1 Ga2 74.63(10) 5_656 .
Ga1 Yb1 Ga2 105.37(10) 1_455 .
Ga3 Yb1 Ga2 134.35(7) 5_656 5_556
Ga3 Yb1 Ga2 45.65(7) 1_455 5_556
Ga3 Yb1 Ga2 134.35(7) 5_666 5_556
Ga3 Yb1 Ga2 45.65(7) 1_445 5_556
Cu1 Yb1 Ga2 84.61(11) 5_666 5_556
Cu1 Yb1 Ga2 95.39(11) 1_445 5_556
Cu1 Yb1 Ga2 84.61(11) 5_656 5_556
Cu1 Yb1 Ga2 95.39(11) 1_455 5_556
Ga1 Yb1 Ga2 105.37(10) 5_656 5_556
Ga1 Yb1 Ga2 74.63(10) 1_455 5_556
Ga2 Yb1 Ga2 180.00(4) . 5_556
Cu1 Yb2 Cu1 180.00(17) 5_655 1_455
Cu1 Yb2 Cu1 81.79(12) 5_655 5_665
Cu1 Yb2 Cu1 98.21(12) 1_455 5_665
Cu1 Yb2 Cu1 98.21(12) 5_655 1_445
Cu1 Yb2 Cu1 81.79(12) 1_455 1_445
Cu1 Yb2 Cu1 180.00(16) 5_665 1_445
Cu1 Yb2 Ga3 135.22(13) 5_655 5_666
Cu1 Yb2 Ga3 44.78(13) 1_455 5_666
Cu1 Yb2 Ga3 81.57(10) 5_665 5_666
Cu1 Yb2 Ga3 98.43(10) 1_445 5_666
Cu1 Yb2 Ga3 44.78(13) 5_655 1_444
Cu1 Yb2 Ga3 135.22(13) 1_455 1_444
Cu1 Yb2 Ga3 98.43(10) 5_665 1_444
Cu1 Yb2 Ga3 81.57(10) 1_445 1_444
Ga3 Yb2 Ga3 180.00(13) 5_666 1_444
Cu1 Yb2 Ga3 81.57(10) 5_655 5_656
Cu1 Yb2 Ga3 98.43(10) 1_455 5_656
Cu1 Yb2 Ga3 135.22(13) 5_665 5_656
Cu1 Yb2 Ga3 44.78(13) 1_445 5_656
Ga3 Yb2 Ga3 81.71(11) 5_666 5_656
Ga3 Yb2 Ga3 98.29(11) 1_444 5_656
Cu1 Yb2 Ga3 98.43(10) 5_655 1_454
Cu1 Yb2 Ga3 81.57(10) 1_455 1_454
Cu1 Yb2 Ga3 44.78(13) 5_665 1_454
Cu1 Yb2 Ga3 135.22(13) 1_445 1_454
Ga3 Yb2 Ga3 98.29(11) 5_666 1_454
Ga3 Yb2 Ga3 81.71(11) 1_444 1_454
Ga3 Yb2 Ga3 180.0 5_656 1_454
Cu1 Yb2 Ga1 45.69(8) 5_655 5_655
Cu1 Yb2 Ga1 134.31(8) 1_455 5_655
Cu1 Yb2 Ga1 45.69(8) 5_665 5_655
Cu1 Yb2 Ga1 134.31(8) 1_445 5_655
Ga3 Yb2 Ga1 95.32(10) 5_666 5_655
Ga3 Yb2 Ga1 84.68(10) 1_444 5_655
Ga3 Yb2 Ga1 95.32(10) 5_656 5_655
Ga3 Yb2 Ga1 84.68(10) 1_454 5_655
Cu1 Yb2 Ga1 134.31(8) 5_655 1_455
Cu1 Yb2 Ga1 45.69(8) 1_455 1_455
Cu1 Yb2 Ga1 134.31(8) 5_665 1_455
Cu1 Yb2 Ga1 45.69(8) 1_445 1_455
Ga3 Yb2 Ga1 84.68(10) 5_666 1_455
Ga3 Yb2 Ga1 95.32(10) 1_444 1_455
Ga3 Yb2 Ga1 84.68(10) 5_656 1_455
Ga3 Yb2 Ga1 95.32(10) 1_454 1_455
Ga1 Yb2 Ga1 180.00(12) 5_655 1_455
Cu1 Yb2 Ga2 95.34(11) 5_655 .
Cu1 Yb2 Ga2 84.66(11) 1_455 .
Cu1 Yb2 Ga2 95.34(11) 5_665 .
Cu1 Yb2 Ga2 84.66(11) 1_445 .
Ga3 Yb2 Ga2 45.64(7) 5_666 .
Ga3 Yb2 Ga2 134.36(7) 1_444 .
Ga3 Yb2 Ga2 45.64(7) 5_656 .
Ga3 Yb2 Ga2 134.36(7) 1_454 .
Ga1 Yb2 Ga2 74.61(10) 5_655 .
Ga1 Yb2 Ga2 105.39(10) 1_455 .
Cu1 Yb2 Ga2 84.66(11) 5_655 5
Cu1 Yb2 Ga2 95.34(11) 1_455 5
Cu1 Yb2 Ga2 84.66(11) 5_665 5
Cu1 Yb2 Ga2 95.34(11) 1_445 5
Ga3 Yb2 Ga2 134.36(7) 5_666 5
Ga3 Yb2 Ga2 45.64(7) 1_444 5
Ga3 Yb2 Ga2 134.36(7) 5_656 5
Ga3 Yb2 Ga2 45.64(7) 1_454 5
Ga1 Yb2 Ga2 105.39(10) 5_655 5
Ga1 Yb2 Ga2 74.61(10) 1_455 5
Ga2 Yb2 Ga2 180.0 . 5
Ga3 Cu1 Ga1 126.10(12) 5_766 1_565
Ga3 Cu1 Ga1 126.10(12) 5_766 .
Ga1 Cu1 Ga1 107.8(2) 1_565 .
Ga3 Cu1 Ga1 126.4(3) 5_766 7_655
Ga1 Cu1 Ga1 69.61(17) 1_565 7_655
Ga1 Cu1 Ga1 69.61(17) . 7_655
Ga3 Cu1 Ga2 126.1(3) 5_766 3
Ga1 Cu1 Ga2 69.64(16) 1_565 3
Ga1 Cu1 Ga2 69.64(16) . 3
Ga1 Cu1 Ga2 107.5(2) 7_655 3
Ga3 Cu1 Yb2 67.67(13) 5_766 1_655
Ga1 Cu1 Yb2 138.9(2) 1_565 1_655
Ga1 Cu1 Yb2 72.28(11) . 1_655
Ga1 Cu1 Yb2 72.50(12) 7_655 1_655
Ga2 Cu1 Yb2 138.76(7) 3 1_655
Ga3 Cu1 Yb2 67.67(13) 5_766 1_665
Ga1 Cu1 Yb2 72.28(11) 1_565 1_665
Ga1 Cu1 Yb2 138.9(2) . 1_665
Ga1 Cu1 Yb2 72.50(12) 7_655 1_665
Ga2 Cu1 Yb2 138.76(7) 3 1_665
Yb2 Cu1 Yb2 81.79(12) 1_655 1_665
Ga3 Cu1 Yb1 67.63(13) 5_766 1_665
Ga1 Cu1 Yb1 72.26(11) 1_565 1_665
Ga1 Cu1 Yb1 138.7(2) . 1_665
Ga1 Cu1 Yb1 138.80(7) 7_655 1_665
Ga2 Cu1 Yb1 72.27(12) 3 1_665
Yb2 Cu1 Yb1 135.30(17) 1_655 1_665
Yb2 Cu1 Yb1 81.66(6) 1_665 1_665
Ga3 Cu1 Yb1 67.63(13) 5_766 1_655
Ga1 Cu1 Yb1 138.7(2) 1_565 1_655
Ga1 Cu1 Yb1 72.26(11) . 1_655
Ga1 Cu1 Yb1 138.80(7) 7_655 1_655
Ga2 Cu1 Yb1 72.27(12) 3 1_655
Yb2 Cu1 Yb1 81.66(6) 1_655 1_655
Yb2 Cu1 Yb1 135.30(17) 1_665 1_655
Yb1 Cu1 Yb1 81.63(12) 1_665 1_655
Cu1 Ga1 Cu1 107.8(2) . 1_545
Cu1 Ga1 Cu1 110.39(17) . 7_655
Cu1 Ga1 Cu1 110.39(17) 1_545 7_655
Cu1 Ga1 Ga3 110.41(17) . 7_656
Cu1 Ga1 Ga3 110.41(17) 1_545 7_656
Cu1 Ga1 Ga3 107.5(2) 7_655 7_656
Cu1 Ga1 Ga1 125.0(3) . 7_645
Cu1 Ga1 Ga1 55.20(14) 1_545 7_645
Cu1 Ga1 Ga1 55.20(16) 7_655 7_645
Ga3 Ga1 Ga1 124.63(18) 7_656 7_645
Cu1 Ga1 Ga1 55.20(14) . 7_655
Cu1 Ga1 Ga1 125.0(3) 1_545 7_655
Cu1 Ga1 Ga1 55.20(16) 7_655 7_655
Ga3 Ga1 Ga1 124.63(18) 7_656 7_655
Ga1 Ga1 Ga1 90.1(3) 7_645 7_655
Cu1 Ga1 Ga2 55.25(14) . 3
Cu1 Ga1 Ga2 124.9(2) 1_545 3
Cu1 Ga1 Ga2 124.69(15) 7_655 3
Ga3 Ga1 Ga2 55.15(13) 7_656 3
Ga1 Ga1 Ga2 179.8(3) 7_645 3
Ga1 Ga1 Ga2 89.96(8) 7_655 3
Cu1 Ga1 Ga2 124.9(2) . 3_545
Cu1 Ga1 Ga2 55.25(14) 1_545 3_545
Cu1 Ga1 Ga2 124.69(15) 7_655 3_545
Ga3 Ga1 Ga2 55.15(13) 7_656 3_545
Ga1 Ga1 Ga2 89.96(8) 7_645 3_545
Ga1 Ga1 Ga2 179.8(3) 7_655 3_545
Ga2 Ga1 Ga2 90.0(2) 3 3_545
Cu1 Ga1 Yb2 62.03(13) . 1_655
Cu1 Ga1 Yb2 62.03(13) 1_545 1_655
Cu1 Ga1 Yb2 89.02(17) 7_655 1_655
Ga3 Ga1 Yb2 163.5(2) 7_656 1_655
Ga1 Ga1 Yb2 64.79(16) 7_645 1_655
Ga1 Ga1 Yb2 64.79(16) 7_655 1_655
Ga2 Ga1 Yb2 115.45(14) 3 1_655
Ga2 Ga1 Yb2 115.45(14) 3_545 1_655
Cu1 Ga1 Yb1 62.10(13) . 1_655
Cu1 Ga1 Yb1 62.10(13) 1_545 1_655
Cu1 Ga1 Yb1 163.7(2) 7_655 1_655
Ga3 Ga1 Yb1 88.86(16) 7_656 1_655
Ga1 Ga1 Yb1 115.52(18) 7_645 1_655
Ga1 Ga1 Yb1 115.52(18) 7_655 1_655
Ga2 Ga1 Yb1 64.65(13) 3 1_655
Ga2 Ga1 Yb1 64.65(13) 3_545 1_655
Yb2 Ga1 Yb1 74.66(9) 1_655 1_655
Cu1 Ga1 Yb2 163.36(15) . 3_545
Cu1 Ga1 Yb2 88.83(10) 1_545 3_545
Cu1 Ga1 Yb2 61.89(12) 7_655 3_545
Ga3 Ga1 Yb2 61.94(11) 7_656 3_545
Ga1 Ga1 Yb2 64.50(12) 7_645 3_545
Ga1 Ga1 Yb2 115.3(2) 7_655 3_545
Ga2 Ga1 Yb2 115.27(17) 3 3_545
Ga2 Ga1 Yb2 64.58(10) 3_545 3_545
Yb2 Ga1 Yb2 129.29(10) 1_655 3_545
Yb1 Ga1 Yb2 129.23(10) 1_655 3_545
Cu1 Ga1 Yb2 88.83(10) . 3
Cu1 Ga1 Yb2 163.36(15) 1_545 3
Cu1 Ga1 Yb2 61.89(12) 7_655 3
Ga3 Ga1 Yb2 61.94(11) 7_656 3
Ga1 Ga1 Yb2 115.3(2) 7_645 3
Ga1 Ga1 Yb2 64.50(12) 7_655 3
Ga2 Ga1 Yb2 64.58(10) 3 3
Ga2 Ga1 Yb2 115.27(17) 3_545 3
Yb2 Ga1 Yb2 129.29(10) 1_655 3
Yb1 Ga1 Yb2 129.23(10) 1_655 3
Yb2 Ga1 Yb2 74.53(9) 3_545 3
Ga3 Ga2 Ga3 107.7(2) 5_656 5_666
Ga3 Ga2 Ga3 110.39(16) 5_656 3_445
Ga3 Ga2 Ga3 110.39(16) 5_666 3_445
Ga3 Ga2 Cu1 110.29(17) 5_656 3_445
Ga3 Ga2 Cu1 110.29(17) 5_666 3_445
Ga3 Ga2 Cu1 107.8(2) 3_445 3_445
Ga3 Ga2 Ga2 124.9(3) 5_656 7_556
Ga3 Ga2 Ga2 55.19(13) 5_666 7_556
Ga3 Ga2 Ga2 55.19(15) 3_445 7_556
Cu1 Ga2 Ga2 124.81(18) 3_445 7_556
Ga3 Ga2 Ga2 55.19(13) 5_656 7_546
Ga3 Ga2 Ga2 124.9(3) 5_666 7_546
Ga3 Ga2 Ga2 55.19(15) 3_445 7_546
Cu1 Ga2 Ga2 124.81(18) 3_445 7_546
Ga2 Ga2 Ga2 90.1(3) 7_556 7_546
Ga3 Ga2 Ga1 55.18(13) 5_656 3_445
Ga3 Ga2 Ga1 124.8(2) 5_666 3_445
Ga3 Ga2 Ga1 124.80(15) 3_445 3_445
Cu1 Ga2 Ga1 55.11(13) 3_445 3_445
Ga2 Ga2 Ga1 179.9(3) 7_556 3_445
Ga2 Ga2 Ga1 89.98(8) 7_546 3_445
Ga3 Ga2 Ga1 124.8(2) 5_656 3_455
Ga3 Ga2 Ga1 55.18(13) 5_666 3_455
Ga3 Ga2 Ga1 124.80(15) 3_445 3_455
Cu1 Ga2 Ga1 55.11(13) 3_445 3_455
Ga2 Ga2 Ga1 89.98(8) 7_556 3_455
Ga2 Ga2 Ga1 179.9(3) 7_546 3_455
Ga1 Ga2 Ga1 90.0(2) 3_445 3_455
Ga3 Ga2 Yb1 62.06(12) 5_656 .
Ga3 Ga2 Yb1 62.06(12) 5_666 .
Ga3 Ga2 Yb1 88.84(16) 3_445 .
Cu1 Ga2 Yb1 163.4(2) 3_445 .
Ga2 Ga2 Yb1 64.65(15) 7_556 .
Ga2 Ga2 Yb1 64.65(15) 7_546 .
Ga1 Ga2 Yb1 115.43(14) 3_445 .
Ga1 Ga2 Yb1 115.43(14) 3_455 .
Ga3 Ga2 Yb1 163.43(14) 5_656 3
Ga3 Ga2 Yb1 88.82(9) 5_666 3
Ga3 Ga2 Yb1 62.05(11) 3_445 3
Cu1 Ga2 Yb1 62.03(11) 3_445 3
Ga2 Ga2 Yb1 64.62(12) 7_556 3
Ga2 Ga2 Yb1 115.4(2) 7_546 3
Ga1 Ga2 Yb1 115.30(17) 3_445 3
Ga1 Ga2 Yb1 64.56(10) 3_455 3
Yb1 Ga2 Yb1 129.27(10) . 3
Ga3 Ga2 Yb1 88.82(9) 5_656 3_545
Ga3 Ga2 Yb1 163.43(14) 5_666 3_545
Ga3 Ga2 Yb1 62.05(11) 3_445 3_545
Cu1 Ga2 Yb1 62.03(11) 3_445 3_545
Ga2 Ga2 Yb1 115.4(2) 7_556 3_545
Ga2 Ga2 Yb1 64.62(12) 7_546 3_545
Ga1 Ga2 Yb1 64.56(10) 3_445 3_545
Ga1 Ga2 Yb1 115.30(17) 3_455 3_545
Yb1 Ga2 Yb1 129.27(10) . 3_545
Yb1 Ga2 Yb1 74.62(9) 3 3_545
Ga3 Ga2 Yb2 61.99(12) 5_656 .
Ga3 Ga2 Yb2 61.99(12) 5_666 .
Ga3 Ga2 Yb2 163.4(2) 3_445 .
Cu1 Ga2 Yb2 88.82(17) 3_445 .
Ga2 Ga2 Yb2 115.35(18) 7_556 .
Ga2 Ga2 Yb2 115.35(18) 7_546 .
Ga1 Ga2 Yb2 64.68(13) 3_445 .
Ga1 Ga2 Yb2 64.68(13) 3_455 .
Yb1 Ga2 Yb2 74.58(9) . .
Yb1 Ga2 Yb2 129.25(10) 3 .
Yb1 Ga2 Yb2 129.25(10) 3_545 .
Cu1 Ga3 Ga2 126.13(11) 5_766 5_656
Cu1 Ga3 Ga2 126.13(11) 5_766 5_666
Ga2 Ga3 Ga2 107.7(2) 5_656 5_666
Cu1 Ga3 Ga2 126.2(2) 5_766 3
Ga2 Ga3 Ga2 69.61(16) 5_656 3
Ga2 Ga3 Ga2 69.61(16) 5_666 3
Cu1 Ga3 Ga1 126.2(2) 5_766 7_656
Ga2 Ga3 Ga1 69.67(15) 5_656 7_656
Ga2 Ga3 Ga1 69.67(15) 5_666 7_656
Ga2 Ga3 Ga1 107.7(2) 3 7_656
Cu1 Ga3 Yb2 67.56(13) 5_766 1_666
Ga2 Ga3 Yb2 138.9(2) 5_656 1_666
Ga2 Ga3 Yb2 72.37(11) 5_666 1_666
Ga2 Ga3 Yb2 138.80(6) 3 1_666
Ga1 Ga3 Yb2 72.43(12) 7_656 1_666
Cu1 Ga3 Yb2 67.56(13) 5_766 1_656
Ga2 Ga3 Yb2 72.37(11) 5_656 1_656
Ga2 Ga3 Yb2 138.9(2) 5_666 1_656
Ga2 Ga3 Yb2 138.80(6) 3 1_656
Ga1 Ga3 Yb2 72.43(11) 7_656 1_656
Yb2 Ga3 Yb2 81.71(11) 1_666 1_656
Cu1 Ga3 Yb1 67.65(13) 5_766 1_655
Ga2 Ga3 Yb1 72.29(11) 5_656 1_655
Ga2 Ga3 Yb1 138.8(2) 5_666 1_655
Ga2 Ga3 Yb1 72.32(11) 3 1_655
Ga1 Ga3 Yb1 138.82(6) 7_656 1_655
Yb2 Ga3 Yb1 135.20(15) 1_666 1_655
Yb2 Ga3 Yb1 81.63(5) 1_656 1_655
Cu1 Ga3 Yb1 67.65(13) 5_766 1_665
Ga2 Ga3 Yb1 138.8(2) 5_656 1_665
Ga2 Ga3 Yb1 72.29(11) 5_666 1_665
Ga2 Ga3 Yb1 72.32(11) 3 1_665
Ga1 Ga3 Yb1 138.82(6) 7_656 1_665
Yb2 Ga3 Yb1 81.63(5) 1_666 1_665
Yb2 Ga3 Yb1 135.20(15) 1_656 1_665
Yb1 Ga3 Yb1 81.65(10) 1_655 1_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 Ga3 3.183(3) 5_656
Yb1 Ga3 3.183(3) 1_455
Yb1 Ga3 3.183(3) 5_666
Yb1 Ga3 3.183(3) 1_445
Yb1 Cu1 3.184(4) 5_666
Yb1 Cu1 3.184(4) 1_445
Yb1 Cu1 3.184(4) 5_656
Yb1 Cu1 3.184(4) 1_455
Yb1 Ga1 3.431(5) 5_656
Yb1 Ga1 3.431(5) 1_455
Yb1 Ga2 3.432(4) .
Yb1 Ga2 3.432(4) 5_556
Yb2 Cu1 3.179(4) 5_655
Yb2 Cu1 3.179(4) 1_455
Yb2 Cu1 3.179(4) 5_665
Yb2 Cu1 3.179(4) 1_445
Yb2 Ga3 3.181(3) 5_666
Yb2 Ga3 3.181(3) 1_444
Yb2 Ga3 3.181(3) 5_656
Yb2 Ga3 3.181(3) 1_454
Yb2 Ga1 3.428(4) 5_655
Yb2 Ga1 3.428(4) 1_455
Yb2 Ga2 3.434(4) .
Yb2 Ga2 3.434(4) 5
Cu1 Ga3 2.422(8) 5_766
Cu1 Ga1 2.575(4) 1_565
Cu1 Ga1 2.575(4) .
Cu1 Ga1 2.575(7) 7_655
Cu1 Ga2 2.580(7) 3
Cu1 Yb2 3.179(4) 1_655
Cu1 Yb2 3.179(4) 1_665
Cu1 Yb1 3.184(4) 1_665
Cu1 Yb1 3.184(4) 1_655
Ga1 Cu1 2.576(4) 1_545
Ga1 Cu1 2.576(7) 7_655
Ga1 Ga3 2.577(6) 7_656
Ga1 Ga1 2.940(7) 7_645
Ga1 Ga1 2.940(7) 7_655
Ga1 Ga2 2.944(5) 3
Ga1 Ga2 2.944(5) 3_545
Ga1 Yb2 3.429(4) 1_655
Ga1 Yb1 3.431(5) 1_655
Ga1 Yb2 3.437(3) 3_545
Ga1 Yb2 3.437(3) 3
Ga2 Ga3 2.576(4) 5_656
Ga2 Ga3 2.576(4) 5_666
Ga2 Ga3 2.576(6) 3_445
Ga2 Cu1 2.580(7) 3_445
Ga2 Ga2 2.941(7) 7_556
Ga2 Ga2 2.941(7) 7_546
Ga2 Ga1 2.944(5) 3_445
Ga2 Ga1 2.944(5) 3_455
Ga2 Yb1 3.433(3) 3
Ga2 Yb1 3.433(3) 3_545
Ga3 Cu1 2.422(8) 5_766
Ga3 Ga2 2.576(4) 5_656
Ga3 Ga2 2.576(4) 5_666
Ga3 Ga2 2.576(6) 3
Ga3 Ga1 2.577(6) 7_656
Ga3 Yb2 3.181(3) 1_666
Ga3 Yb2 3.181(3) 1_656
Ga3 Yb1 3.183(3) 1_655
Ga3 Yb1 3.183(3) 1_665
