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#$Date: 2016-03-23 03:32:24 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179250 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/70/4317042.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_4317042
loop_
_publ_author_name
'C. Peter Sebastian'
'James Salvador'
'Joshua B. Martin'
'Mercouri G. Kanatzidis'
_publ_contact_author
;
      Prof. M. G. Kanatzidis
      Department of Chemistry
      2145 Sheridan Road
      Northwestern University
      Evanston, IL 60208-3113
      USA
;
_publ_contact_author_email       m-kanatzidis@northwestern.edu
_publ_contact_author_fax         'Int + 847-491-5937'
_publ_contact_author_phone       'Int + 847-467-1541'
_publ_section_title
;
 New Intermetallics YbAu2In4 and Yb2Au3In5
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10468
_journal_page_last               10474
_journal_paper_doi               10.1021/ic101502e
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Au2 In4 Yb'
_chemical_formula_weight         1026.25
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/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                 107.838(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.6536(19)
_cell_length_b                   4.5424(11)
_cell_length_c                   9.591(2)
_cell_measurement_reflns_used    3939
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.98
_cell_measurement_theta_min      5.01
_cell_volume                     317.41(13)
_computing_cell_refinement       'stoe x-area'
_computing_data_collection       'stoe x-area'
_computing_data_reduction        'stoe x-area'
_computing_molecular_graphics    Diamond
_computing_publication_material  Diamond
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.957
_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  0.0501
_diffrn_reflns_av_sigmaI/netI    0.0494
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3939
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.98
_diffrn_reflns_theta_min         5.01
_exptl_absorpt_coefficient_mu    74.741
_exptl_absorpt_correction_T_max  0.1540
_exptl_absorpt_correction_T_min  0.0446
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Grey
_exptl_crystal_density_diffrn    10.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         6.389
_refine_diff_density_min         -5.193
_refine_diff_density_rms         1.034
_refine_ls_extinction_coef       0.0037(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_matrix_type           full
_refine_ls_number_parameters     44
_refine_ls_number_reflns         1079
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.150
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0744P)²+7.2375P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1168
_refine_ls_wR_factor_ref         0.1182
_reflns_number_gt                1011
_reflns_number_total             1079
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101502e_si_002_2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_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_database_code               4317042
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb Yb 0.16630(12) 0.7500 0.78822(9) 0.0080(2) Uani 1 2 d SU . .
Au1 Au 0.27432(10) 0.2500 0.05956(8) 0.0075(2) Uani 1 2 d SU . .
Au2 Au 0.27679(10) 0.2500 0.57956(8) 0.0077(2) Uani 1 2 d SU . .
In1 In 0.90331(18) 0.2500 0.87730(14) 0.0059(3) Uani 1 2 d SU . .
In2 In 0.89518(19) 0.2500 0.57123(14) 0.0071(3) Uani 1 2 d SU . .
In3 In 0.46211(19) 0.2500 0.36827(14) 0.0079(3) Uani 1 2 d SU . .
In4 In 0.49589(18) 0.2500 0.87129(14) 0.0059(3) Uani 1 2 d SU . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
In In -0.7276 1.3100 '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
Au2 Yb Au2 86.86(3) 1_565 . ?
Au2 Yb In4 49.88(3) 1_565 1_565 ?
Au2 Yb In4 107.48(4) . 1_565 ?
Au2 Yb In4 107.48(4) 1_565 . ?
Au2 Yb In4 49.88(3) . . ?
In4 Yb In4 86.81(4) 1_565 . ?
Au2 Yb In1 156.24(4) 1_565 1_455 ?
Au2 Yb In1 88.48(3) . 1_455 ?
In4 Yb In1 152.53(4) 1_565 1_455 ?
In4 Yb In1 86.90(3) . 1_455 ?
Au2 Yb In1 88.48(3) 1_565 1_465 ?
Au2 Yb In1 156.24(4) . 1_465 ?
In4 Yb In1 86.90(3) 1_565 1_465 ?
In4 Yb In1 152.53(4) . 1_465 ?
In1 Yb In1 86.47(4) 1_455 1_465 ?
Au2 Yb In2 49.82(2) 1_565 3_666 ?
Au2 Yb In2 49.82(2) . 3_666 ?
In4 Yb In2 96.02(3) 1_565 3_666 ?
In4 Yb In2 96.02(3) . 3_666 ?
In1 Yb In2 111.22(3) 1_455 3_666 ?
In1 Yb In2 111.22(3) 1_465 3_666 ?
Au2 Yb In2 108.39(4) 1_565 1_455 ?
Au2 Yb In2 51.71(3) . 1_455 ?
In4 Yb In2 154.20(4) 1_565 1_455 ?
In4 Yb In2 88.03(3) . 1_455 ?
In1 Yb In2 52.00(3) 1_455 1_455 ?
In1 Yb In2 108.43(4) 1_465 1_455 ?
In2 Yb In2 59.44(3) 3_666 1_455 ?
Au2 Yb In2 51.71(3) 1_565 1_465 ?
Au2 Yb In2 108.39(4) . 1_465 ?
In4 Yb In2 88.03(3) 1_565 1_465 ?
In4 Yb In2 154.20(4) . 1_465 ?
In1 Yb In2 108.43(4) 1_455 1_465 ?
In1 Yb In2 52.00(3) 1_465 1_465 ?
In2 Yb In2 59.44(3) 3_666 1_465 ?
In2 Yb In2 85.72(4) 1_455 1_465 ?
Au2 Yb Au1 87.51(2) 1_565 1_566 ?
Au2 Yb Au1 152.33(4) . 1_566 ?
In4 Yb Au1 50.24(3) 1_565 1_566 ?
In4 Yb Au1 106.81(3) . 1_566 ?
In1 Yb Au1 106.74(3) 1_455 1_566 ?
In1 Yb Au1 50.38(3) 1_465 1_566 ?
In2 Yb Au1 136.393(18) 3_666 1_566 ?
In2 Yb Au1 154.25(4) 1_455 1_566 ?
In2 Yb Au1 88.94(3) 1_465 1_566 ?
Au2 Yb Au1 152.33(4) 1_565 1_556 ?
Au2 Yb Au1 87.51(2) . 1_556 ?
In4 Yb Au1 106.81(3) 1_565 1_556 ?
In4 Yb Au1 50.24(3) . 1_556 ?
In1 Yb Au1 50.38(3) 1_455 1_556 ?
In1 Yb Au1 106.74(4) 1_465 1_556 ?
In2 Yb Au1 136.393(18) 3_666 1_556 ?
In2 Yb Au1 88.94(3) 1_455 1_556 ?
In2 Yb Au1 154.25(4) 1_465 1_556 ?
Au1 Yb Au1 85.02(3) 1_566 1_556 ?
Au2 Yb In1 135.462(17) 1_565 3_667 ?
Au2 Yb In1 135.462(17) . 3_667 ?
In4 Yb In1 95.79(3) 1_565 3_667 ?
In4 Yb In1 95.79(3) . 3_667 ?
In1 Yb In1 58.35(3) 1_455 3_667 ?
In1 Yb In1 58.35(3) 1_465 3_667 ?
In2 Yb In1 163.72(4) 3_666 3_667 ?
In2 Yb In1 109.88(4) 1_455 3_667 ?
In2 Yb In1 109.88(4) 1_465 3_667 ?
Au1 Yb In1 48.98(2) 1_566 3_667 ?
Au1 Yb In1 48.98(2) 1_556 3_667 ?
In1 Au1 In1 108.03(5) 3_656 3_666 ?
In1 Au1 In4 155.23(5) 3_656 3_666 ?
In1 Au1 In4 66.83(4) 3_666 3_666 ?
In1 Au1 In4 66.83(4) 3_656 3_656 ?
In1 Au1 In4 155.23(5) 3_666 3_656 ?
In4 Au1 In4 107.06(5) 3_666 3_656 ?
In1 Au1 In4 124.20(3) 3_656 1_554 ?
In1 Au1 In4 124.20(3) 3_666 1_554 ?
In4 Au1 In4 72.43(4) 3_666 1_554 ?
In4 Au1 In4 72.43(4) 3_656 1_554 ?
In1 Au1 In1 70.98(4) 3_656 1_454 ?
In1 Au1 In1 70.98(4) 3_666 1_454 ?
In4 Au1 In1 125.27(3) 3_666 1_454 ?
In4 Au1 In1 125.27(3) 3_656 1_454 ?
In4 Au1 In1 106.77(5) 1_554 1_454 ?
In1 Au1 In3 84.26(4) 3_656 . ?
In1 Au1 In3 84.26(4) 3_666 . ?
In4 Au1 In3 71.24(3) 3_666 . ?
In4 Au1 In3 71.24(3) 3_656 . ?
In4 Au1 In3 116.74(5) 1_554 . ?
In1 Au1 In3 136.49(5) 1_454 . ?
In1 Au1 Yb 66.41(3) 3_656 1_544 ?
In1 Au1 Yb 133.90(4) 3_666 1_544 ?
In4 Au1 Yb 135.48(4) 3_666 1_544 ?
In4 Au1 Yb 68.05(3) 3_656 1_544 ?
In4 Au1 Yb 63.86(3) 1_554 1_544 ?
In1 Au1 Yb 63.98(3) 1_454 1_544 ?
In3 Au1 Yb 136.552(17) . 1_544 ?
In1 Au1 Yb 133.90(4) 3_656 1_554 ?
In1 Au1 Yb 66.41(3) 3_666 1_554 ?
In4 Au1 Yb 68.05(3) 3_666 1_554 ?
In4 Au1 Yb 135.48(4) 3_656 1_554 ?
In4 Au1 Yb 63.86(3) 1_554 1_554 ?
In1 Au1 Yb 63.98(3) 1_454 1_554 ?
In3 Au1 Yb 136.552(17) . 1_554 ?
Yb Au1 Yb 85.02(3) 1_544 1_554 ?
In4 Au2 In2 124.23(3) . 3_656 ?
In4 Au2 In2 124.23(3) . 3_666 ?
In2 Au2 In2 108.66(5) 3_656 3_666 ?
In4 Au2 In3 116.31(5) . . ?
In2 Au2 In3 83.60(4) 3_656 . ?
In2 Au2 In3 83.60(4) 3_666 . ?
In4 Au2 In2 108.61(5) . 1_455 ?
In2 Au2 In2 71.02(4) 3_656 1_455 ?
In2 Au2 In2 71.02(4) 3_666 1_455 ?
In3 Au2 In2 135.08(5) . 1_455 ?
In4 Au2 In3 70.33(3) . 3_666 ?
In2 Au2 In3 153.62(5) 3_656 3_666 ?
In2 Au2 In3 69.58(4) 3_666 3_666 ?
In3 Au2 In3 70.02(4) . 3_666 ?
In2 Au2 In3 128.78(3) 1_455 3_666 ?
In4 Au2 In3 70.33(3) . 3_656 ?
In2 Au2 In3 69.58(4) 3_656 3_656 ?
In2 Au2 In3 153.62(5) 3_666 3_656 ?
In3 Au2 In3 70.02(4) . 3_656 ?
In2 Au2 In3 128.78(3) 1_455 3_656 ?
In3 Au2 In3 100.01(5) 3_666 3_656 ?
In4 Au2 Yb 65.09(3) . . ?
In2 Au2 Yb 134.79(4) 3_656 . ?
In2 Au2 Yb 65.64(3) 3_666 . ?
In3 Au2 Yb 135.808(18) . . ?
In2 Au2 Yb 64.77(3) 1_455 . ?
In3 Au2 Yb 69.85(3) 3_666 . ?
In3 Au2 Yb 135.13(4) 3_656 . ?
In4 Au2 Yb 65.09(3) . 1_545 ?
In2 Au2 Yb 65.64(3) 3_656 1_545 ?
In2 Au2 Yb 134.79(4) 3_666 1_545 ?
In3 Au2 Yb 135.808(18) . 1_545 ?
In2 Au2 Yb 64.77(3) 1_455 1_545 ?
In3 Au2 Yb 135.13(4) 3_666 1_545 ?
In3 Au2 Yb 69.85(3) 3_656 1_545 ?
Yb Au2 Yb 86.85(3) . 1_545 ?
Au1 In1 Au1 108.03(5) 3_656 3_666 ?
Au1 In1 Au1 109.03(4) 3_656 1_656 ?
Au1 In1 Au1 109.03(4) 3_666 1_656 ?
Au1 In1 In2 110.78(4) 3_656 . ?
Au1 In1 In2 110.78(4) 3_666 . ?
Au1 In1 In2 109.16(5) 1_656 . ?
Au1 In1 In4 56.86(3) 3_656 . ?
Au1 In1 In4 56.86(3) 3_666 . ?
Au1 In1 In4 145.17(6) 1_656 . ?
In2 In1 In4 105.66(5) . . ?
Au1 In1 In1 123.19(7) 3_656 3_767 ?
Au1 In1 In1 55.02(3) 3_666 3_767 ?
Au1 In1 In1 54.01(4) 1_656 3_767 ?
In2 In1 In1 126.02(5) . 3_767 ?
In4 In1 In1 104.09(5) . 3_767 ?
Au1 In1 In1 55.02(3) 3_656 3_757 ?
Au1 In1 In1 123.19(7) 3_666 3_757 ?
Au1 In1 In1 54.01(4) 1_656 3_757 ?
In2 In1 In1 126.02(5) . 3_757 ?
In4 In1 In1 104.09(6) . 3_757 ?
In1 In1 In1 87.67(6) 3_767 3_757 ?
Au1 In1 Yb 169.21(4) 3_656 1_655 ?
Au1 In1 Yb 82.75(2) 3_666 1_655 ?
Au1 In1 Yb 65.64(3) 1_656 1_655 ?
In2 In1 Yb 64.42(3) . 1_655 ?
In4 In1 Yb 132.97(3) . 1_655 ?
In1 In1 Yb 62.25(4) 3_767 1_655 ?
In1 In1 Yb 118.89(6) 3_757 1_655 ?
Au1 In1 Yb 82.75(2) 3_656 1_645 ?
Au1 In1 Yb 169.21(4) 3_666 1_645 ?
Au1 In1 Yb 65.64(3) 1_656 1_645 ?
In2 In1 Yb 64.42(3) . 1_645 ?
In4 In1 Yb 132.97(3) . 1_645 ?
In1 In1 Yb 118.89(6) 3_767 1_645 ?
In1 In1 Yb 62.25(4) 3_757 1_645 ?
Yb In1 Yb 86.47(4) 1_655 1_645 ?
Au1 In1 Yb 64.61(3) 3_656 3_667 ?
Au1 In1 Yb 64.61(3) 3_666 3_667 ?
Au1 In1 Yb 80.56(4) 1_656 3_667 ?
In2 In1 Yb 170.28(6) . 3_667 ?
In4 In1 Yb 64.62(4) . 3_667 ?
In1 In1 Yb 59.39(4) 3_767 3_667 ?
In1 In1 Yb 59.39(4) 3_757 3_667 ?
Yb In1 Yb 121.65(3) 1_655 3_667 ?
Yb In1 Yb 121.65(3) 1_645 3_667 ?
Au2 In2 Au2 108.66(5) 3_656 3_666 ?
Au2 In2 Au2 108.98(4) 3_656 1_655 ?
Au2 In2 Au2 108.98(4) 3_666 1_655 ?
Au2 In2 In1 112.46(4) 3_656 . ?
Au2 In2 In1 112.46(4) 3_666 . ?
Au2 In2 In1 105.17(5) 1_655 . ?
Au2 In2 In3 57.63(3) 3_656 . ?
Au2 In2 In3 57.63(3) 3_666 . ?
Au2 In2 In3 147.22(5) 1_655 . ?
In1 In2 In3 107.61(6) . . ?
Au2 In2 In2 123.72(7) 3_656 3_766 ?
Au2 In2 In2 55.92(3) 3_666 3_766 ?
Au2 In2 In2 53.06(4) 1_655 3_766 ?
In1 In2 In2 123.51(5) . 3_766 ?
In3 In2 In2 106.49(5) . 3_766 ?
Au2 In2 In2 55.92(3) 3_656 3_756 ?
Au2 In2 In2 123.72(7) 3_666 3_756 ?
Au2 In2 In2 53.06(4) 1_655 3_756 ?
In1 In2 In2 123.51(5) . 3_756 ?
In3 In2 In2 106.49(5) . 3_756 ?
In2 In2 In2 86.72(7) 3_766 3_756 ?
Au2 In2 Yb 64.54(3) 3_656 3_666 ?
Au2 In2 Yb 64.54(3) 3_666 3_666 ?
Au2 In2 Yb 81.39(4) 1_655 3_666 ?
In1 In2 Yb 173.44(6) . 3_666 ?
In3 In2 Yb 65.83(4) . 3_666 ?
In2 In2 Yb 60.36(4) 3_766 3_666 ?
In2 In2 Yb 60.36(4) 3_756 3_666 ?
Au2 In2 Yb 168.29(4) 3_656 1_655 ?
Au2 In2 Yb 82.77(2) 3_666 1_655 ?
Au2 In2 Yb 63.52(3) 1_655 1_655 ?
In1 In2 Yb 63.59(3) . 1_655 ?
In3 In2 Yb 133.62(3) . 1_655 ?
In2 In2 Yb 60.20(3) 3_766 1_655 ?
In2 In2 Yb 115.91(6) 3_756 1_655 ?
Yb In2 Yb 120.56(3) 3_666 1_655 ?
Au2 In2 Yb 82.77(2) 3_656 1_645 ?
Au2 In2 Yb 168.29(4) 3_666 1_645 ?
Au2 In2 Yb 63.52(3) 1_655 1_645 ?
In1 In2 Yb 63.59(3) . 1_645 ?
In3 In2 Yb 133.62(3) . 1_645 ?
In2 In2 Yb 115.91(6) 3_766 1_645 ?
In2 In2 Yb 60.20(3) 3_756 1_645 ?
Yb In2 Yb 120.56(3) 3_666 1_645 ?
Yb In2 Yb 85.71(4) 1_655 1_645 ?
Au2 In3 Au1 122.76(6) . . ?
Au2 In3 Au2 109.98(4) . 3_666 ?
Au1 In3 Au2 105.84(4) . 3_666 ?
Au2 In3 Au2 109.98(4) . 3_656 ?
Au1 In3 Au2 105.84(4) . 3_656 ?
Au2 In3 Au2 100.01(5) 3_666 3_656 ?
Au2 In3 In2 102.31(5) . . ?
Au1 In3 In2 134.94(6) . . ?
Au2 In3 In2 52.79(3) 3_666 . ?
Au2 In3 In2 52.79(3) 3_656 . ?
Au2 In3 In3 57.22(4) . 3_666 ?
Au1 In3 In3 134.63(4) . 3_666 ?
Au2 In3 In3 52.76(3) 3_666 3_666 ?
Au2 In3 In3 116.42(6) 3_656 3_666 ?
In2 In3 In3 68.87(5) . 3_666 ?
Au2 In3 In3 57.22(4) . 3_656 ?
Au1 In3 In3 134.63(4) . 3_656 ?
Au2 In3 In3 116.42(6) 3_666 3_656 ?
Au2 In3 In3 52.76(3) 3_656 3_656 ?
In2 In3 In3 68.87(5) . 3_656 ?
In3 In3 In3 86.53(6) 3_666 3_656 ?
Au2 In3 In4 132.69(3) . 3_656 ?
Au1 In3 In4 53.76(3) . 3_656 ?
Au2 In3 In4 116.00(5) 3_666 3_656 ?
Au2 In3 In4 52.32(3) 3_656 3_656 ?
In2 In3 In4 96.67(4) . 3_656 ?
In3 In3 In4 165.10(8) 3_666 3_656 ?
In3 In3 In4 91.57(3) 3_656 3_656 ?
Au2 In3 In4 132.69(3) . 3_666 ?
Au1 In3 In4 53.76(3) . 3_666 ?
Au2 In3 In4 52.32(3) 3_666 3_666 ?
Au2 In3 In4 116.00(5) 3_656 3_666 ?
In2 In3 In4 96.67(4) . 3_666 ?
In3 In3 In4 91.57(3) 3_666 3_666 ?
In3 In3 In4 165.10(8) 3_656 3_666 ?
In4 In3 In4 86.47(5) 3_656 3_666 ?
Au2 In3 Yb 159.98(5) . 3_666 ?
Au1 In3 Yb 77.27(4) . 3_666 ?
Au2 In3 Yb 59.51(3) 3_666 3_666 ?
Au2 In3 Yb 59.51(3) 3_656 3_666 ?
In2 In3 Yb 57.67(4) . 3_666 ?
In3 In3 Yb 109.99(5) 3_666 3_666 ?
In3 In3 Yb 109.99(5) 3_656 3_666 ?
In4 In3 Yb 56.93(3) 3_656 3_666 ?
In4 In3 Yb 56.93(3) 3_666 3_666 ?
Au2 In4 Au1 112.06(3) . 3_666 ?
Au2 In4 Au1 112.06(3) . 3_656 ?
Au1 In4 Au1 107.06(5) 3_666 3_656 ?
Au2 In4 Au1 110.29(5) . 1_556 ?
Au1 In4 Au1 107.57(4) 3_666 1_556 ?
Au1 In4 Au1 107.57(4) 3_656 1_556 ?
Au2 In4 In1 108.12(5) . . ?
Au1 In4 In1 56.31(3) 3_666 . ?
Au1 In4 In1 56.31(3) 3_656 . ?
Au1 In4 In1 141.60(5) 1_556 . ?
Au2 In4 Yb 65.03(3) . 1_545 ?
Au1 In4 Yb 169.59(4) 3_666 1_545 ?
Au1 In4 Yb 83.01(3) 3_656 1_545 ?
Au1 In4 Yb 65.90(3) 1_556 1_545 ?
In1 In4 Yb 133.89(3) . 1_545 ?
Au2 In4 Yb 65.03(3) . . ?
Au1 In4 Yb 83.01(3) 3_666 . ?
Au1 In4 Yb 169.59(4) 3_656 . ?
Au1 In4 Yb 65.90(3) 1_556 . ?
In1 In4 Yb 133.89(3) . . ?
Yb In4 Yb 86.81(4) 1_545 . ?
Au2 In4 In3 57.35(3) . 3_656 ?
Au1 In4 In3 121.87(5) 3_666 3_656 ?
Au1 In4 In3 54.99(3) 3_656 3_656 ?
Au1 In4 In3 130.26(3) 1_556 3_656 ?
In1 In4 In3 72.69(4) . 3_656 ?
Yb In4 In3 65.86(3) 1_545 3_656 ?
Yb In4 In3 122.17(5) . 3_656 ?
Au2 In4 In3 57.35(3) . 3_666 ?
Au1 In4 In3 54.99(3) 3_666 3_666 ?
Au1 In4 In3 121.87(5) 3_656 3_666 ?
Au1 In4 In3 130.26(3) 1_556 3_666 ?
In1 In4 In3 72.69(4) . 3_666 ?
Yb In4 In3 122.17(5) 1_545 3_666 ?
Yb In4 In3 65.86(3) . 3_666 ?
In3 In4 In3 86.47(5) 3_656 3_666 ?
Au2 In4 In4 127.68(5) . 3_667 ?
Au1 In4 In4 53.87(3) 3_666 3_667 ?
Au1 In4 In4 120.25(6) 3_656 3_667 ?
Au1 In4 In4 53.70(4) 1_556 3_667 ?
In1 In4 In4 101.25(5) . 3_667 ?
Yb In4 In4 119.04(6) 1_545 3_667 ?
Yb In4 In4 63.34(3) . 3_667 ?
In3 In4 In4 173.65(7) 3_656 3_667 ?
In3 In4 In4 93.59(3) 3_666 3_667 ?
Au2 In4 In4 127.68(5) . 3_657 ?
Au1 In4 In4 120.25(6) 3_666 3_657 ?
Au1 In4 In4 53.87(3) 3_656 3_657 ?
Au1 In4 In4 53.70(4) 1_556 3_657 ?
In1 In4 In4 101.25(5) . 3_657 ?
Yb In4 In4 63.34(3) 1_545 3_657 ?
Yb In4 In4 119.04(6) . 3_657 ?
In3 In4 In4 93.59(3) 3_656 3_657 ?
In3 In4 In4 173.65(7) 3_666 3_657 ?
In4 In4 In4 85.65(6) 3_667 3_657 ?
Au2 In4 Yb 170.09(5) . 3_667 ?
Au1 In4 Yb 63.30(3) 3_666 3_667 ?
Au1 In4 Yb 63.30(3) 3_656 3_667 ?
Au1 In4 Yb 79.62(4) 1_556 3_667 ?
In1 In4 Yb 61.97(4) . 3_667 ?
Yb In4 Yb 121.17(3) 1_545 3_667 ?
Yb In4 Yb 121.17(3) . 3_667 ?
In3 In4 Yb 116.57(4) 3_656 3_667 ?
In3 In4 Yb 116.57(4) 3_666 3_667 ?
In4 In4 Yb 57.83(4) 3_667 3_667 ?
In4 In4 Yb 57.83(4) 3_657 3_667 ?
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
Yb Au2 3.3039(10) 1_565 ?
Yb Au2 3.3039(10) . ?
Yb In4 3.3053(13) 1_565 ?
Yb In4 3.3053(13) . ?
Yb In1 3.3156(13) 1_455 ?
Yb In1 3.3156(13) 1_465 ?
Yb In2 3.3336(18) 3_666 ?
Yb In2 3.3391(12) 1_455 ?
Yb In2 3.3391(12) 1_465 ?
Yb Au1 3.3610(10) 1_566 ?
Yb Au1 3.3610(10) 1_556 ?
Yb In1 3.4093(17) 3_667 ?
Au1 In1 2.8067(10) 3_656 ?
Au1 In1 2.8067(10) 3_666 ?
Au1 In4 2.8243(10) 3_666 ?
Au1 In4 2.8243(10) 3_656 ?
Au1 In4 2.8306(16) 1_554 ?
Au1 In1 2.8422(16) 1_454 ?
Au1 In3 2.8680(16) . ?
Au1 Yb 3.3610(10) 1_544 ?
Au1 Yb 3.3610(10) 1_554 ?
Au2 In4 2.7869(16) . ?
Au2 In2 2.7957(10) 3_656 ?
Au2 In2 2.7957(10) 3_666 ?
Au2 In3 2.8070(16) . ?
Au2 In2 2.8973(17) 1_455 ?
Au2 In3 2.9647(11) 3_666 ?
Au2 In3 2.9647(11) 3_656 ?
Au2 Yb 3.3039(10) 1_545 ?
In1 Au1 2.8068(10) 3_656 ?
In1 Au1 2.8068(10) 3_666 ?
In1 Au1 2.8422(16) 1_656 ?
In1 In2 2.917(2) . ?
In1 In4 3.101(2) . ?
In1 In1 3.2795(19) 3_767 ?
In1 In1 3.2795(19) 3_757 ?
In1 Yb 3.3156(13) 1_655 ?
In1 Yb 3.3156(13) 1_645 ?
In1 Yb 3.4093(17) 3_667 ?
In2 Au2 2.7957(10) 3_656 ?
In2 Au2 2.7957(10) 3_666 ?
In2 Au2 2.8973(17) 1_655 ?
In2 In3 3.290(2) . ?
In2 In2 3.308(2) 3_766 ?
In2 In2 3.308(2) 3_756 ?
In2 Yb 3.3336(18) 3_666 ?
In2 Yb 3.3391(12) 1_655 ?
In2 Yb 3.3391(12) 1_645 ?
In3 Au2 2.9647(11) 3_666 ?
In3 Au2 2.9647(11) 3_656 ?
In3 In3 3.314(2) 3_666 ?
In3 In3 3.314(2) 3_656 ?
In3 In4 3.3157(15) 3_656 ?
In3 In4 3.3157(15) 3_666 ?
In3 Yb 3.5994(18) 3_666 ?
In4 Au1 2.8243(10) 3_666 ?
In4 Au1 2.8243(10) 3_656 ?
In4 Au1 2.8306(16) 1_556 ?
In4 Yb 3.3053(13) 1_545 ?
In4 In3 3.3156(15) 3_656 ?
In4 In3 3.3156(15) 3_666 ?
In4 In4 3.341(2) 3_667 ?
In4 In4 3.341(2) 3_657 ?
In4 Yb 3.4895(16) 3_667 ?
