#------------------------------------------------------------------------------
#$Date: 2017-09-27 15:34:03 +0300 (Wed, 27 Sep 2017) $
#$Revision: 201369 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/54/4315497.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_4315497
loop_
_publ_author_name
'Qisheng Lin'
'John D. Corbett'
_publ_contact_author_address
;359 Spedding Hall
Iowa State University
Ames, IA, 50010
;
_publ_contact_author_email       jdc@ameslab.gov
_publ_contact_author_name        'John D Corbett'
_publ_section_title
;
 M3(Au,Ge)19 and M3.25(Au,Ge)18 (M = Ca, Yb): Distinctive Phase
 Separations Driven by Configurational Disorder in Cubic YCd6-Type
 Derivatives
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4570
_journal_page_last               4577
_journal_paper_doi               10.1021/ic100118q
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Au12.5 Ge5.39 Yb3.25'
_chemical_formula_weight         3415.81
_chemical_name_systematic        ?
_space_group_IT_number           204
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_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            8
_cell_length_a                   14.6334(15)
_cell_length_b                   14.6334(15)
_cell_length_c                   14.6334(15)
_cell_measurement_reflns_used    718
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      1.97
_cell_volume                     3133.5(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'smart ccd apex ii'
_diffrn_measurement_method       w/
_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  0.0943
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12819
_diffrn_reflns_theta_full        28.17
_diffrn_reflns_theta_max         28.17
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    145.806
_exptl_absorpt_correction_T_max  0.055
_exptl_absorpt_correction_T_min  0.015
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            metallic
_exptl_crystal_density_diffrn    14.481
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             11100
_exptl_crystal_size_max          0.029
_exptl_crystal_size_mid          0.024
_exptl_crystal_size_min          0.020
_refine_diff_density_max         4.912
_refine_diff_density_min         -3.890
_refine_diff_density_rms         0.844
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_matrix_type           full
_refine_ls_number_parameters     43
_refine_ls_number_reflns         718
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0486
_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)+(0.0611P)²+1090.6298P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1287
_reflns_number_gt                631
_reflns_number_total             718
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100118q_si_003_8.cif
_cod_data_source_block           crystal_s3
_cod_depositor_comments
;
 Removing the _chemical_melting_point data item since it contained the
 _chemical_formula_sum data item value and not the melting temperature.

 Antanas Vaitkus,
 2017-09-27

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'Au12.50 Ge5.39 Yb3.25'
_cod_database_code               4315497
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'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'
'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+1/2, -y+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+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-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'
'-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+1/2, y+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+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
Au1 Au 0.10475(7) 0.33723(7) 0.19762(7) 0.0253(3) Uani 1 1 d . . .
Au2 Au 0.0000 0.40222(9) 0.35492(9) 0.0194(4) Uani 1 2 d S . .
Au3 Au 0.14195(7) 0.14195(7) 0.14195(7) 0.0261(5) Uani 1 3 d S . .
Au4 Au 0.40092(14) 0.0000 0.0000 0.0250(5) Uani 1 4 d S . .
Ge5 Ge 0.0000 0.2312(3) 0.0870(3) 0.0252(8) Uani 1 2 d S . .
Ge6 Ge 0.2001(3) 0.0000 0.5000 0.0194(11) Uani 1 4 d S . .
Ge7 Ge 0.2500 0.2500 0.2500 0.033(3) Uani 0.89(3) 6 d SP . .
Yb8 Yb 0.0000 0.0000 0.0000 0.0496(19) Uani 1 24 d S . .
Yb9 Yb 0.0000 0.18739(10) 0.30477(10) 0.0178(4) 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
Ge Ge 0.1547 1.8001 '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'
Au Au -2.0133 8.8022 '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
Ge7 Au1 Ge5 110.94(8) . . ?
Ge7 Au1 Ge6 148.54(7) . 9 ?
Ge5 Au1 Ge6 100.51(10) . 9 ?
Ge7 Au1 Au2 113.08(4) . 41 ?
Ge5 Au1 Au2 106.73(10) . 41 ?
Ge6 Au1 Au2 54.35(7) 9 41 ?
Ge7 Au1 Au2 110.90(4) . . ?
Ge5 Au1 Au2 111.05(6) . . ?
Ge6 Au1 Au2 55.45(10) 9 . ?
Au2 Au1 Au2 103.87(3) 41 . ?
Ge7 Au1 Au3 57.78(4) . . ?
Ge5 Au1 Au3 53.19(8) . . ?
Ge6 Au1 Au3 153.68(8) 9 . ?
Au2 Au1 Au3 127.86(4) 41 . ?
Au2 Au1 Au3 127.90(4) . . ?
Ge7 Au1 Au1 53.916(12) . 41 ?
Ge5 Au1 Au1 126.37(7) . 41 ?
Ge6 Au1 Au1 106.29(5) 9 41 ?
Au2 Au1 Au1 59.17(4) 41 41 ?
Au2 Au1 Au1 122.47(5) . 41 ?
Au3 Au1 Au1 92.71(3) . 41 ?
Ge7 Au1 Au1 53.916(12) . 45 ?
Ge5 Au1 Au1 128.72(9) . 45 ?
Ge6 Au1 Au1 106.17(11) 9 45 ?
Au2 Au1 Au1 124.45(6) 41 45 ?
Au2 Au1 Au1 56.99(4) . 45 ?
Au3 Au1 Au1 92.71(3) . 45 ?
Au1 Au1 Au1 86.64(5) 41 45 ?
Ge7 Au1 Au1 144.99(2) . 28 ?
Ge5 Au1 Au1 55.64(5) . 28 ?
Ge6 Au1 Au1 57.24(2) 9 28 ?
Au2 Au1 Au1 101.93(3) 41 28 ?
Au2 Au1 Au1 58.39(2) . 28 ?
Au3 Au1 Au1 100.38(3) . 28 ?
Au1 Au1 Au1 161.095(19) 41 28 ?
Au1 Au1 Au1 106.13(2) 45 28 ?
Ge7 Au1 Yb9 84.71(3) . . ?
Ge5 Au1 Yb9 67.59(9) . . ?
Ge6 Au1 Yb9 108.70(7) 9 . ?
Au2 Au1 Yb9 161.91(5) 41 . ?
Au2 Au1 Yb9 64.71(4) . . ?
Au3 Au1 Yb9 63.68(3) . . ?
Au1 Au1 Yb9 138.45(3) 41 . ?
Au1 Au1 Yb9 62.67(3) 45 . ?
Au1 Au1 Yb9 60.38(2) 28 . ?
Ge7 Au1 Yb9 83.30(4) . 9 ?
Ge5 Au1 Yb9 65.54(7) . 9 ?
Ge6 Au1 Yb9 110.13(11) 9 9 ?
Au2 Au1 Yb9 65.13(4) 41 9 ?
Au2 Au1 Yb9 165.15(5) . 9 ?
Au3 Au1 Yb9 62.84(3) . 9 ?
Au1 Au1 Yb9 61.87(3) 41 9 ?
Au1 Au1 Yb9 137.06(4) 45 9 ?
Au1 Au1 Yb9 112.42(3) 28 9 ?
Yb9 Au1 Yb9 122.95(6) . 9 ?
Ge7 Au1 Yb9 82.65(3) . 41 ?
Ge5 Au1 Yb9 166.21(9) . 41 ?
Ge6 Au1 Yb9 65.90(7) 9 41 ?
Au2 Au1 Yb9 64.09(4) 41 41 ?
Au2 Au1 Yb9 63.98(4) . 41 ?
Au3 Au1 Yb9 140.42(5) . 41 ?
Au1 Au1 Yb9 59.34(5) 41 41 ?
Au1 Au1 Yb9 60.81(4) 45 41 ?
Au1 Au1 Yb9 114.42(3) 28 41 ?
Yb9 Au1 Yb9 117.68(5) . 41 ?
Yb9 Au1 Yb9 115.65(5) 9 41 ?
Ge6 Au2 Ge6 177.08(7) 41 9 ?
Ge6 Au2 Au1 62.37(4) 41 23_455 ?
Ge6 Au2 Au1 116.61(4) 9 23_455 ?
Ge6 Au2 Au1 62.37(4) 41 45 ?
Ge6 Au2 Au1 116.61(4) 9 45 ?
Au1 Au2 Au1 113.03(6) 23_455 45 ?
Ge6 Au2 Au2 125.20(10) 41 2_565 ?
Ge6 Au2 Au2 57.72(6) 9 2_565 ?
Au1 Au2 Au2 120.77(3) 23_455 2_565 ?
Au1 Au2 Au2 120.77(3) 45 2_565 ?
Ge6 Au2 Au1 117.11(9) 41 28 ?
Ge6 Au2 Au1 60.54(6) 9 28 ?
Au1 Au2 Au1 63.84(4) 23_455 28 ?
Au1 Au2 Au1 115.69(5) 45 28 ?
Au2 Au2 Au1 108.98(3) 2_565 28 ?
Ge6 Au2 Au1 117.11(9) 41 . ?
Ge6 Au2 Au1 60.54(6) 9 . ?
Au1 Au2 Au1 115.69(5) 23_455 . ?
Au1 Au2 Au1 63.84(4) 45 . ?
Au2 Au2 Au1 108.98(3) 2_565 . ?
Au1 Au2 Au1 63.22(5) 28 . ?
Ge6 Au2 Au4 71.98(8) 41 37 ?
Ge6 Au2 Au4 110.51(6) 9 37 ?
Au1 Au2 Au4 120.71(5) 23_455 37 ?
Au1 Au2 Au4 71.86(4) 45 37 ?
Au2 Au2 Au4 60.90(3) 2_565 37 ?
Au1 Au2 Au4 169.86(5) 28 37 ?
Au1 Au2 Au4 117.89(4) . 37 ?
Ge6 Au2 Au4 71.98(8) 41 13_455 ?
Ge6 Au2 Au4 110.51(6) 9 13_455 ?
Au1 Au2 Au4 71.86(4) 23_455 13_455 ?
Au1 Au2 Au4 120.71(5) 45 13_455 ?
Au2 Au2 Au4 60.90(3) 2_565 13_455 ?
Au1 Au2 Au4 117.89(4) 28 13_455 ?
Au1 Au2 Au4 169.86(5) . 13_455 ?
Au4 Au2 Au4 59.05(7) 37 13_455 ?
Ge6 Au2 Yb9 67.94(10) 41 . ?
Ge6 Au2 Yb9 109.14(8) 9 . ?
Au1 Au2 Yb9 63.18(3) 23_455 . ?
Au1 Au2 Yb9 63.18(3) 45 . ?
Au2 Au2 Yb9 166.86(3) 2_565 . ?
Au1 Au2 Yb9 60.29(4) 28 . ?
Au1 Au2 Yb9 60.29(4) . . ?
Au4 Au2 Yb9 129.62(4) 37 . ?
Au4 Au2 Yb9 129.62(4) 13_455 . ?
Ge6 Au2 Yb9 114.14(4) 41 18_455 ?
Ge6 Au2 Yb9 66.69(4) 9 18_455 ?
Au1 Au2 Yb9 62.10(3) 23_455 18_455 ?
Au1 Au2 Yb9 175.08(5) 45 18_455 ?
Au2 Au2 Yb9 63.92(2) 2_565 18_455 ?
Au1 Au2 Yb9 62.17(3) 28 18_455 ?
Au1 Au2 Yb9 116.95(5) . 18_455 ?
Au4 Au2 Yb9 110.86(5) 37 18_455 ?
Au4 Au2 Yb9 59.40(4) 13_455 18_455 ?
Yb9 Au2 Yb9 112.64(3) . 18_455 ?
Ge6 Au2 Yb9 114.14(4) 41 41 ?
Ge6 Au2 Yb9 66.69(4) 9 41 ?
Au1 Au2 Yb9 175.08(5) 23_455 41 ?
Au1 Au2 Yb9 62.10(3) 45 41 ?
Au2 Au2 Yb9 63.92(2) 2_565 41 ?
Au1 Au2 Yb9 116.95(5) 28 41 ?
Au1 Au2 Yb9 62.17(3) . 41 ?
Au4 Au2 Yb9 59.40(4) 37 41 ?
Au4 Au2 Yb9 110.86(5) 13_455 41 ?
Yb9 Au2 Yb9 112.64(3) . 41 ?
Yb9 Au2 Yb9 122.75(5) 18_455 41 ?
Ge5 Au3 Ge5 108.30(10) 9 . ?
Ge5 Au3 Ge5 108.30(10) 9 5 ?
Ge5 Au3 Ge5 108.30(10) . 5 ?
Ge5 Au3 Ge7 110.62(10) 9 . ?
Ge5 Au3 Ge7 110.62(10) . . ?
Ge5 Au3 Ge7 110.62(10) 5 . ?
Ge5 Au3 Au1 127.07(8) 9 . ?
Ge5 Au3 Au1 57.35(10) . . ?
Ge5 Au3 Au1 124.63(8) 5 . ?
Ge7 Au3 Au1 53.29(4) . . ?
Ge5 Au3 Au1 57.35(10) 9 9 ?
Ge5 Au3 Au1 124.63(8) . 9 ?
Ge5 Au3 Au1 127.07(8) 5 9 ?
Ge7 Au3 Au1 53.29(4) . 9 ?
Au1 Au3 Au1 87.93(5) . 9 ?
Ge5 Au3 Au1 124.63(8) 9 5 ?
Ge5 Au3 Au1 127.07(8) . 5 ?
Ge5 Au3 Au1 57.35(10) 5 5 ?
Ge7 Au3 Au1 53.29(4) . 5 ?
Au1 Au3 Au1 87.93(5) . 5 ?
Au1 Au3 Au1 87.93(5) 9 5 ?
Ge5 Au3 Yb9 65.92(8) 9 5 ?
Ge5 Au3 Yb9 169.35(12) . 5 ?
Ge5 Au3 Yb9 66.95(8) 5 5 ?
Ge7 Au3 Yb9 80.01(4) . 5 ?
Au1 Au3 Yb9 133.29(7) . 5 ?
Au1 Au3 Yb9 60.84(3) 9 5 ?
Au1 Au3 Yb9 59.37(3) 5 5 ?
Ge5 Au3 Yb9 66.95(8) 9 9 ?
Ge5 Au3 Yb9 65.92(8) . 9 ?
Ge5 Au3 Yb9 169.35(12) 5 9 ?
Ge7 Au3 Yb9 80.01(4) . 9 ?
Au1 Au3 Yb9 60.84(3) . 9 ?
Au1 Au3 Yb9 59.37(3) 9 9 ?
Au1 Au3 Yb9 133.29(7) 5 9 ?
Yb9 Au3 Yb9 117.06(2) 5 9 ?
Ge5 Au3 Yb9 169.35(12) 9 . ?
Ge5 Au3 Yb9 66.95(8) . . ?
Ge5 Au3 Yb9 65.92(8) 5 . ?
Ge7 Au3 Yb9 80.01(4) . . ?
Au1 Au3 Yb9 59.37(4) . . ?
Au1 Au3 Yb9 133.29(7) 9 . ?
Au1 Au3 Yb9 60.84(3) 5 . ?
Yb9 Au3 Yb9 117.06(2) 5 . ?
Yb9 Au3 Yb9 117.06(2) 9 . ?
Ge5 Au3 Yb8 69.38(10) 9 . ?
Ge5 Au3 Yb8 69.38(10) . . ?
Ge5 Au3 Yb8 69.38(10) 5 . ?
Ge7 Au3 Yb8 180.00(10) . . ?
Au1 Au3 Yb8 126.71(4) . . ?
Au1 Au3 Yb8 126.71(4) 9 . ?
Au1 Au3 Yb8 126.71(4) 5 . ?
Yb9 Au3 Yb8 99.99(4) 5 . ?
Yb9 Au3 Yb8 99.99(4) 9 . ?
Yb9 Au3 Yb8 99.99(4) . . ?
Ge5 Au4 Ge5 54.27(17) 34 9 ?
Ge5 Au4 Au4 152.87(8) 34 25_655 ?
Ge5 Au4 Au4 152.87(8) 9 25_655 ?
Ge5 Au4 Au2 131.33(4) 34 37 ?
Ge5 Au4 Au2 102.52(6) 9 37 ?
Au4 Au4 Au2 60.48(4) 25_655 37 ?
Ge5 Au4 Au2 102.52(6) 34 13_544 ?
Ge5 Au4 Au2 131.33(4) 9 13_544 ?
Au4 Au4 Au2 60.48(4) 25_655 13_544 ?
Au2 Au4 Au2 120.95(7) 37 13_544 ?
Ge5 Au4 Au2 102.52(6) 34 38_545 ?
Ge5 Au4 Au2 131.33(4) 9 38_545 ?
Au4 Au4 Au2 60.48(4) 25_655 38_545 ?
Au2 Au4 Au2 58.20(5) 37 38_545 ?
Au2 Au4 Au2 92.37(6) 13_544 38_545 ?
Ge5 Au4 Au2 131.33(4) 34 14_554 ?
Ge5 Au4 Au2 102.52(6) 9 14_554 ?
Au4 Au4 Au2 60.48(4) 25_655 14_554 ?
Au2 Au4 Au2 92.37(6) 37 14_554 ?
Au2 Au4 Au2 58.20(5) 13_544 14_554 ?
Au2 Au4 Au2 120.95(7) 38_545 14_554 ?
Ge5 Au4 Yb9 66.03(5) 34 6 ?
Ge5 Au4 Yb9 66.03(5) 9 6 ?
Au4 Au4 Yb9 117.16(4) 25_655 6 ?
Au2 Au4 Yb9 150.11(3) 37 6 ?
Au2 Au4 Yb9 65.35(3) 13_544 6 ?
Au2 Au4 Yb9 150.11(3) 38_545 6 ?
Au2 Au4 Yb9 65.35(3) 14_554 6 ?
Ge5 Au4 Yb9 66.03(5) 34 5 ?
Ge5 Au4 Yb9 66.03(5) 9 5 ?
Au4 Au4 Yb9 117.16(4) 25_655 5 ?
Au2 Au4 Yb9 65.35(3) 37 5 ?
Au2 Au4 Yb9 150.11(3) 13_544 5 ?
Au2 Au4 Yb9 65.35(3) 38_545 5 ?
Au2 Au4 Yb9 150.11(3) 14_554 5 ?
Yb9 Au4 Yb9 125.68(9) 6 5 ?
Ge5 Ge5 Au3 108.16(8) 26 28 ?
Ge5 Ge5 Au3 108.16(8) 26 . ?
Au3 Ge5 Au3 107.09(16) 28 . ?
Ge5 Ge5 Au1 126.60(8) 26 . ?
Au3 Ge5 Au1 123.85(14) 28 . ?
Au3 Ge5 Au1 69.46(7) . . ?
Ge5 Ge5 Au1 126.60(8) 26 28 ?
Au3 Ge5 Au1 69.46(7) 28 28 ?
Au3 Ge5 Au1 123.85(14) . 28 ?
Au1 Ge5 Au1 68.71(11) . 28 ?
Ge5 Ge5 Au4 62.87(8) 26 5 ?
Au3 Ge5 Au4 126.33(8) 28 5 ?
Au3 Ge5 Au4 126.33(8) . 5 ?
Au1 Ge5 Au4 76.34(11) . 5 ?
Au1 Ge5 Au4 76.34(11) 28 5 ?
Ge5 Ge5 Yb9 66.64(6) 26 10 ?
Au3 Ge5 Yb9 66.79(3) 28 10 ?
Au3 Ge5 Yb9 168.69(18) . 10 ?
Au1 Ge5 Yb9 121.82(15) . 10 ?
Au1 Ge5 Yb9 64.07(5) 28 10 ?
Au4 Ge5 Yb9 61.36(7) 5 10 ?
Ge5 Ge5 Yb9 66.64(6) 26 9 ?
Au3 Ge5 Yb9 168.69(18) 28 9 ?
Au3 Ge5 Yb9 66.79(3) . 9 ?
Au1 Ge5 Yb9 64.07(5) . 9 ?
Au1 Ge5 Yb9 121.82(15) 28 9 ?
Au4 Ge5 Yb9 61.36(7) 5 9 ?
Yb9 Ge5 Yb9 117.43(13) 10 9 ?
Ge5 Ge5 Yb9 168.62(8) 26 . ?
Au3 Ge5 Yb9 66.09(8) 28 . ?
Au3 Ge5 Yb9 66.09(8) . . ?
Au1 Ge5 Yb9 61.85(8) . . ?
Au1 Ge5 Yb9 61.85(8) 28 . ?
Au4 Ge5 Yb9 128.52(15) 5 . ?
Yb9 Ge5 Yb9 117.06(7) 10 . ?
Yb9 Ge5 Yb9 117.06(7) 9 . ?
Ge5 Ge5 Yb8 69.39(6) 26 . ?
Au3 Ge5 Yb8 68.66(10) 28 . ?
Au3 Ge5 Yb8 68.66(10) . . ?
Au1 Ge5 Yb8 138.10(10) . . ?
Au1 Ge5 Yb8 138.10(10) 28 . ?
Au4 Ge5 Yb8 132.26(13) 5 . ?
Yb9 Ge5 Yb8 100.04(9) 10 . ?
Yb9 Ge5 Yb8 100.04(9) 9 . ?
Yb9 Ge5 Yb8 99.23(11) . . ?
Au2 Ge6 Au2 109.61(19) 22_545 45 ?
Au2 Ge6 Au2 119.16(6) 22_545 6_556 ?
Au2 Ge6 Au2 119.16(6) 45 6_556 ?
Au2 Ge6 Au2 119.16(6) 22_545 5 ?
Au2 Ge6 Au2 119.16(6) 45 5 ?
Au2 Ge6 Au2 64.55(13) 6_556 5 ?
Au2 Ge6 Au1 115.77(10) 22_545 31_556 ?
Au2 Ge6 Au1 63.28(4) 45 31_556 ?
Au2 Ge6 Au1 64.01(6) 6_556 31_556 ?
Au2 Ge6 Au1 117.38(15) 5 31_556 ?
Au2 Ge6 Au1 63.28(4) 22_545 32 ?
Au2 Ge6 Au1 115.77(10) 45 32 ?
Au2 Ge6 Au1 117.38(15) 6_556 32 ?
Au2 Ge6 Au1 64.01(6) 5 32 ?
Au1 Ge6 Au1 178.5(2) 31_556 32 ?
Au2 Ge6 Au1 115.77(10) 22_545 5 ?
Au2 Ge6 Au1 63.28(4) 45 5 ?
Au2 Ge6 Au1 117.38(15) 6_556 5 ?
Au2 Ge6 Au1 64.01(6) 5 5 ?
Au1 Ge6 Au1 114.46(4) 31_556 5 ?
Au1 Ge6 Au1 65.52(4) 32 5 ?
Au2 Ge6 Au1 63.28(4) 22_545 6_556 ?
Au2 Ge6 Au1 115.77(10) 45 6_556 ?
Au2 Ge6 Au1 64.01(6) 6_556 6_556 ?
Au2 Ge6 Au1 117.38(15) 5 6_556 ?
Au1 Ge6 Au1 65.52(4) 31_556 6_556 ?
Au1 Ge6 Au1 114.46(4) 32 6_556 ?
Au1 Ge6 Au1 178.5(2) 5 6_556 ?
Au2 Ge6 Yb9 174.76(17) 22_545 45 ?
Au2 Ge6 Yb9 65.15(4) 45 45 ?
Au2 Ge6 Yb9 65.03(8) 6_556 45 ?
Au2 Ge6 Yb9 65.03(8) 5 45 ?
Au1 Ge6 Yb9 62.46(4) 31_556 45 ?
Au1 Ge6 Yb9 118.38(8) 32 45 ?
Au1 Ge6 Yb9 62.46(4) 5 45 ?
Au1 Ge6 Yb9 118.38(8) 6_556 45 ?
Au2 Ge6 Yb9 65.15(4) 22_545 22_545 ?
Au2 Ge6 Yb9 174.76(17) 45 22_545 ?
Au2 Ge6 Yb9 65.03(8) 6_556 22_545 ?
Au2 Ge6 Yb9 65.03(8) 5 22_545 ?
Au1 Ge6 Yb9 118.38(8) 31_556 22_545 ?
Au1 Ge6 Yb9 62.46(4) 32 22_545 ?
Au1 Ge6 Yb9 118.38(8) 5 22_545 ?
Au1 Ge6 Yb9 62.46(4) 6_556 22_545 ?
Yb9 Ge6 Yb9 120.10(16) 45 22_545 ?
Au1 Ge7 Au1 107.83(2) 9 . ?
Au1 Ge7 Au1 107.83(2) 9 5 ?
Au1 Ge7 Au1 107.83(2) . 5 ?
Au1 Ge7 Au1 180.0 9 45 ?
Au1 Ge7 Au1 72.17(2) . 45 ?
Au1 Ge7 Au1 72.17(2) 5 45 ?
Au1 Ge7 Au1 72.17(2) 9 41 ?
Au1 Ge7 Au1 72.17(2) . 41 ?
Au1 Ge7 Au1 180.00(3) 5 41 ?
Au1 Ge7 Au1 107.83(2) 45 41 ?
Au1 Ge7 Au1 72.17(2) 9 37 ?
Au1 Ge7 Au1 180.00(4) . 37 ?
Au1 Ge7 Au1 72.17(2) 5 37 ?
Au1 Ge7 Au1 107.83(2) 45 37 ?
Au1 Ge7 Au1 107.83(2) 41 37 ?
Au1 Ge7 Au3 68.94(2) 9 . ?
Au1 Ge7 Au3 68.94(2) . . ?
Au1 Ge7 Au3 68.94(2) 5 . ?
Au1 Ge7 Au3 111.06(2) 45 . ?
Au1 Ge7 Au3 111.06(2) 41 . ?
Au1 Ge7 Au3 111.06(2) 37 . ?
Au1 Ge7 Au3 111.06(2) 9 37 ?
Au1 Ge7 Au3 111.06(2) . 37 ?
Au1 Ge7 Au3 111.06(2) 5 37 ?
Au1 Ge7 Au3 68.94(2) 45 37 ?
Au1 Ge7 Au3 68.94(2) 41 37 ?
Au1 Ge7 Au3 68.94(2) 37 37 ?
Au3 Ge7 Au3 180.00(7) . 37 ?
Au3 Yb8 Au3 180.00(8) 25 . ?
Au3 Yb8 Au3 109.5 25 28 ?
Au3 Yb8 Au3 70.5 . 28 ?
Au3 Yb8 Au3 70.5 25 4 ?
Au3 Yb8 Au3 109.5 . 4 ?
Au3 Yb8 Au3 180.00(6) 28 4 ?
Au3 Yb8 Au3 70.5 25 2 ?
Au3 Yb8 Au3 109.5 . 2 ?
Au3 Yb8 Au3 70.5 28 2 ?
Au3 Yb8 Au3 109.5 4 2 ?
Au3 Yb8 Au3 109.5 25 26 ?
Au3 Yb8 Au3 70.5 . 26 ?
Au3 Yb8 Au3 109.5 28 26 ?
Au3 Yb8 Au3 70.5 4 26 ?
Au3 Yb8 Au3 180.00(8) 2 26 ?
Au3 Yb8 Au3 70.5 25 3 ?
Au3 Yb8 Au3 109.5 . 3 ?
Au3 Yb8 Au3 70.5 28 3 ?
Au3 Yb8 Au3 109.5 4 3 ?
Au3 Yb8 Au3 109.5 2 3 ?
Au3 Yb8 Au3 70.5 26 3 ?
Au3 Yb8 Au3 109.5 25 27 ?
Au3 Yb8 Au3 70.5 . 27 ?
Au3 Yb8 Au3 109.5 28 27 ?
Au3 Yb8 Au3 70.5 4 27 ?
Au3 Yb8 Au3 70.5 2 27 ?
Au3 Yb8 Au3 109.5 26 27 ?
Au3 Yb8 Au3 180.00(8) 3 27 ?
Au3 Yb8 Ge5 138.04(3) 25 9 ?
Au3 Yb8 Ge5 41.96(3) . 9 ?
Au3 Yb8 Ge5 109.71(5) 28 9 ?
Au3 Yb8 Ge5 70.29(5) 4 9 ?
Au3 Yb8 Ge5 138.04(3) 2 9 ?
Au3 Yb8 Ge5 41.96(3) 26 9 ?
Au3 Yb8 Ge5 109.71(5) 3 9 ?
Au3 Yb8 Ge5 70.29(5) 27 9 ?
Au3 Yb8 Ge5 41.96(3) 25 29 ?
Au3 Yb8 Ge5 138.04(3) . 29 ?
Au3 Yb8 Ge5 109.71(5) 28 29 ?
Au3 Yb8 Ge5 70.29(5) 4 29 ?
Au3 Yb8 Ge5 109.71(5) 2 29 ?
Au3 Yb8 Ge5 70.29(5) 26 29 ?
Au3 Yb8 Ge5 41.96(3) 3 29 ?
Au3 Yb8 Ge5 138.04(3) 27 29 ?
Ge5 Yb8 Ge5 109.23(5) 9 29 ?
Au3 Yb8 Ge5 138.04(3) 25 5 ?
Au3 Yb8 Ge5 41.96(3) . 5 ?
Au3 Yb8 Ge5 70.29(5) 28 5 ?
Au3 Yb8 Ge5 109.71(5) 4 5 ?
Au3 Yb8 Ge5 70.29(5) 2 5 ?
Au3 Yb8 Ge5 109.71(5) 26 5 ?
Au3 Yb8 Ge5 138.04(3) 3 5 ?
Au3 Yb8 Ge5 41.96(3) 27 5 ?
Ge5 Yb8 Ge5 70.77(5) 9 5 ?
Ge5 Yb8 Ge5 180.00(5) 29 5 ?
Au3 Yb8 Ge5 138.04(3) 25 . ?
Au3 Yb8 Ge5 41.96(3) . . ?
Au3 Yb8 Ge5 41.96(3) 28 . ?
Au3 Yb8 Ge5 138.04(3) 4 . ?
Au3 Yb8 Ge5 109.71(5) 2 . ?
Au3 Yb8 Ge5 70.29(5) 26 . ?
Au3 Yb8 Ge5 70.29(5) 3 . ?
Au3 Yb8 Ge5 109.71(5) 27 . ?
Ge5 Yb8 Ge5 70.77(5) 9 . ?
Ge5 Yb8 Ge5 109.23(5) 29 . ?
Ge5 Yb8 Ge5 70.77(5) 5 . ?
Au4 Yb9 Au1 149.31(3) 9 . ?
Au4 Yb9 Au1 149.31(3) 9 28 ?
Au1 Yb9 Au1 59.25(5) . 28 ?
Au4 Yb9 Au1 65.93(3) 9 30 ?
Au1 Yb9 Au1 142.79(4) . 30 ?
Au1 Yb9 Au1 83.95(4) 28 30 ?
Au4 Yb9 Au1 65.93(3) 9 5 ?
Au1 Yb9 Au1 83.95(4) . 5 ?
Au1 Yb9 Au1 142.79(4) 28 5 ?
Au1 Yb9 Au1 131.61(6) 30 5 ?
Au4 Yb9 Au1 106.18(4) 9 45 ?
Au1 Yb9 Au1 57.99(3) . 45 ?
Au1 Yb9 Au1 101.84(5) 28 45 ?
Au1 Yb9 Au1 144.77(6) 30 45 ?
Au1 Yb9 Au1 57.32(3) 5 45 ?
Au4 Yb9 Au1 106.18(4) 9 23_455 ?
Au1 Yb9 Au1 101.84(5) . 23_455 ?
Au1 Yb9 Au1 57.99(3) 28 23_455 ?
Au1 Yb9 Au1 57.32(3) 30 23_455 ?
Au1 Yb9 Au1 144.77(6) 5 23_455 ?
Au1 Yb9 Au1 96.10(5) 45 23_455 ?
Au4 Yb9 Ge5 52.61(8) 9 30 ?
Au1 Yb9 Ge5 129.10(9) . 30 ?
Au1 Yb9 Ge5 103.81(7) 28 30 ?
Au1 Yb9 Ge5 50.40(7) 30 30 ?
Au1 Yb9 Ge5 94.93(7) 5 30 ?
Au1 Yb9 Ge5 151.94(7) 45 30 ?
Au1 Yb9 Ge5 107.02(7) 23_455 30 ?
Au4 Yb9 Ge5 52.61(8) 9 5 ?
Au1 Yb9 Ge5 103.81(7) . 5 ?
Au1 Yb9 Ge5 129.10(9) 28 5 ?
Au1 Yb9 Ge5 94.93(7) 30 5 ?
Au1 Yb9 Ge5 50.40(7) 5 5 ?
Au1 Yb9 Ge5 107.02(7) 45 5 ?
Au1 Yb9 Ge5 151.94(7) 23_455 5 ?
Ge5 Yb9 Ge5 46.72(13) 30 5 ?
Au4 Yb9 Au2 139.70(6) 9 . ?
Au1 Yb9 Au2 55.00(4) . . ?
Au1 Yb9 Au2 55.00(4) 28 . ?
Au1 Yb9 Au2 109.72(3) 30 . ?
Au1 Yb9 Au2 109.72(3) 5 . ?
Au1 Yb9 Au2 52.73(3) 45 . ?
Au1 Yb9 Au2 52.73(3) 23_455 . ?
Ge5 Yb9 Au2 155.29(6) 30 . ?
Ge5 Yb9 Au2 155.29(6) 5 . ?
Au4 Yb9 Au3 98.83(4) 9 28 ?
Au1 Yb9 Au3 95.19(4) . 28 ?
Au1 Yb9 Au3 56.96(3) 28 28 ?
Au1 Yb9 Au3 56.32(3) 30 28 ?
Au1 Yb9 Au3 128.21(6) 5 28 ?
Au1 Yb9 Au3 153.04(5) 45 28 ?
Au1 Yb9 Au3 86.26(4) 23_455 28 ?
Ge5 Yb9 Au3 47.29(7) 30 28 ?
Ge5 Yb9 Au3 80.31(9) 5 28 ?
Au2 Yb9 Au3 111.60(4) . 28 ?
Au4 Yb9 Au3 98.83(4) 9 . ?
Au1 Yb9 Au3 56.96(3) . . ?
Au1 Yb9 Au3 95.19(4) 28 . ?
Au1 Yb9 Au3 128.21(6) 30 . ?
Au1 Yb9 Au3 56.32(3) 5 . ?
Au1 Yb9 Au3 86.26(4) 45 . ?
Au1 Yb9 Au3 153.04(5) 23_455 . ?
Ge5 Yb9 Au3 80.31(9) 30 . ?
Ge5 Yb9 Au3 47.29(7) 5 . ?
Au2 Yb9 Au3 111.60(4) . . ?
Au3 Yb9 Au3 80.04(7) 28 . ?
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
Au1 Ge7 2.5951(11) . ?
Au1 Ge5 2.716(4) . ?
Au1 Ge6 2.8327(11) 9 ?
Au1 Au2 2.8559(13) 41 ?
Au1 Au2 2.9245(15) . ?
Au1 Au3 3.0209(15) . ?
Au1 Au1 3.0569(16) 41 ?
Au1 Au1 3.0569(16) 45 ?
Au1 Au1 3.066(2) 28 ?
Au1 Yb9 3.1009(17) . ?
Au1 Yb9 3.1704(12) 9 ?
Au1 Yb9 3.2027(14) 41 ?
Au2 Ge6 2.598(3) 41 ?
Au2 Ge6 2.679(4) 9 ?
Au2 Au1 2.8559(13) 23_455 ?
Au2 Au1 2.8559(13) 45 ?
Au2 Au2 2.862(3) 2_565 ?
Au2 Au1 2.9245(15) 28 ?
Au2 Au4 2.9422(15) 37 ?
Au2 Au4 2.9422(15) 13_455 ?
Au2 Yb9 3.228(2) . ?
Au2 Yb9 3.2546(15) 18_455 ?
Au2 Yb9 3.2546(15) 41 ?
Au3 Ge5 2.583(3) 9 ?
Au3 Ge5 2.583(3) . ?
Au3 Ge5 2.583(3) 5 ?
Au3 Ge7 2.7387(19) . ?
Au3 Au1 3.0209(15) 9 ?
Au3 Au1 3.0209(15) 5 ?
Au3 Yb9 3.2302(12) 5 ?
Au3 Yb9 3.2302(12) 9 ?
Au3 Yb9 3.2302(12) . ?
Au3 Yb8 3.5978(19) . ?
Au4 Ge5 2.790(5) 34 ?
Au4 Ge5 2.790(5) 9 ?
Au4 Au4 2.900(4) 25_655 ?
Au4 Au2 2.9422(15) 37 ?
Au4 Au2 2.9422(15) 13_544 ?
Au4 Au2 2.9422(15) 38_545 ?
Au4 Au2 2.9422(15) 14_554 ?
Au4 Yb9 3.0821(17) 6 ?
Au4 Yb9 3.0821(17) 5 ?
Ge5 Ge5 2.545(7) 26 ?
Ge5 Au3 2.583(3) 28 ?
Ge5 Au1 2.716(4) 28 ?
Ge5 Au4 2.790(5) 5 ?
Ge5 Yb9 3.209(2) 10 ?
Ge5 Yb9 3.209(2) 9 ?
Ge5 Yb9 3.251(4) . ?
Ge5 Yb8 3.615(4) . ?
Ge6 Au2 2.598(3) 22_545 ?
Ge6 Au2 2.598(3) 45 ?
Ge6 Au2 2.679(4) 6_556 ?
Ge6 Au2 2.679(4) 5 ?
Ge6 Au1 2.8327(11) 31_556 ?
Ge6 Au1 2.8327(11) 32 ?
Ge6 Au1 2.8327(11) 5 ?
Ge6 Au1 2.8327(11) 6_556 ?
Ge6 Yb9 3.297(3) 45 ?
Ge6 Yb9 3.297(3) 22_545 ?
Ge7 Au1 2.5951(11) 9 ?
Ge7 Au1 2.5951(11) 5 ?
Ge7 Au1 2.5951(11) 45 ?
Ge7 Au1 2.5951(11) 41 ?
Ge7 Au1 2.5951(11) 37 ?
Ge7 Au3 2.7387(19) 37 ?
Yb8 Au3 3.5978(19) 25 ?
Yb8 Au3 3.5978(19) 28 ?
Yb8 Au3 3.5978(19) 4 ?
Yb8 Au3 3.5978(19) 2 ?
Yb8 Au3 3.5978(19) 26 ?
Yb8 Au3 3.5978(19) 3 ?
Yb8 Au3 3.5978(19) 27 ?
Yb8 Ge5 3.615(4) 9 ?
Yb8 Ge5 3.615(4) 29 ?
Yb8 Ge5 3.615(4) 5 ?
Yb9 Au4 3.0821(17) 9 ?
Yb9 Au1 3.1009(17) 28 ?
Yb9 Au1 3.1704(12) 30 ?
Yb9 Au1 3.1704(12) 5 ?
Yb9 Au1 3.2027(14) 45 ?
Yb9 Au1 3.2027(14) 23_455 ?
Yb9 Ge5 3.209(2) 30 ?
Yb9 Ge5 3.209(2) 5 ?
Yb9 Au3 3.2302(12) 28 ?
