#------------------------------------------------------------------------------
#$Date: 2023-05-06 13:50:00 +0300 (Sat, 06 May 2023) $
#$Revision: 283600 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/20/2312075.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2312075
loop_
_publ_author_name
'Rössner, Leonard'
'Prots, Yurii'
'Grin, Yuri'
'Armbrüster, Marc'
_publ_section_title
;
 The crystal structure of quaternary (Sn,Pb,Bi)Pt.
;
_journal_issue                   'Pt 3'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              129
_journal_page_last               131
_journal_paper_doi               10.1107/S2056989023000956
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          '(Sn, Pb, Bi) Pt'
_chemical_formula_moiety         'Bi0.31 Pb0.54 Pt1 Sn0.15'
_chemical_formula_sum            'Bi0.31 Pb0.54 Pt Sn0.15'
_chemical_formula_weight         389.32
_chemical_name_systematic
;
(Tin, lead, bismuth) platinum
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.2280(10)
_cell_length_b                   4.2280(10)
_cell_length_c                   5.481(2)
_cell_measurement_reflns_used    924
_cell_measurement_temperature    293
_cell_measurement_theta_max      43.0
_cell_measurement_theta_min      9.30
_cell_volume                     84.85(4)
_computing_cell_refinement
;
CrystalClear (Rigaku, 2008)
;
_computing_data_collection
;
CrystalClear (Rigaku, 2008)
;
_computing_data_reduction
;
CrystalClear (Rigaku, 2008)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2018)
;
_computing_publication_material
;
SHELXL (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR-2014 (Burla et al.,  2015)
;
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'Rigaku AFC7 four-circle diffractometer'
_diffrn_measurement_method       'profile data from φ-scans'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710730
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_av_sigmaI/netI    0.021
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            1549
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         39.77
_diffrn_reflns_theta_min         5.56
_diffrn_source                   'Sealed Tube'
_diffrn_source_current           34.0000
_diffrn_source_power             1.7000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    169.4
_exptl_absorpt_correction_T_max  0.081
_exptl_absorpt_correction_T_min  0.037
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(Blessing, 1995)
;
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    15.23
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular shaped'
_exptl_crystal_F_000             311
_exptl_crystal_size_max          0.035
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.015
_refine_diff_density_max         2.082
_refine_diff_density_min         -1.43
_refine_ls_goodness_of_fit_ref   1.512
_refine_ls_matrix_type           full
_refine_ls_number_parameters     13
_refine_ls_number_reflns         123
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.507
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0247
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0120P)²+0.2655P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0406
_refine_ls_wR_factor_ref         0.0414
_reflns_number_gt                120
_reflns_number_total             123
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            wm5665sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2312075.cif.'
_cod_original_cell_volume        84.84(5)
_cod_original_formula_sum        'Bi0.31 Pb0.54 Pt1 Sn0.15'
_cod_database_code               2312075
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt1 0 0 0 0.0110(2) Uani d 1.0 2 . .
Bi Bi1 0.3333 0.6667 0.2500 0.0077(3) Uani d 0.31(5) 2 . .
Pb Pb1 0.3333 0.6667 0.2500 0.0077 Uani d 0.54(5) 2 . .
Sn Sn1 0.3333 0.6667 0.2500 0.0077 Uani d 0.03(4) 2 . .
Sn Sn2 0.3333 0.6667 0.7500 0.0077 Uani d 0.064(6) 2 . .
Sn Sn3 0.3333 0.6667 0.501(5) 0.012(7) Uiso d 0.027(4) 4 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Sn3 Pt1 Sn3 16_556 4_554 180.0 n
Sn3 Pt1 Sn3 16_446 4_664 180.0 n
Sn3 Pt1 Sn3 16_556 16_546 119.999(5) n
Sn3 Pt1 Sn3 16_446 16_546 119.999(4) n
Sn3 Pt1 Sn3 4_554 4_564 119.999(5) n
Sn3 Pt1 Sn3 4_664 4_564 119.999(4) n
Sn3 Pt1 Sn3 16_546 4_564 180.0 n
Sn3 Pt1 Pt1 16_556 4 90.1(6) n
Sn3 Pt1 Pt1 4_554 4 89.9(6) n
Sn3 Pt1 Pt1 16_446 4 90.1(6) n
Sn3 Pt1 Pt1 4_664 4 89.9(6) n
Sn3 Pt1 Pt1 16_546 4 90.1(6) n
Sn3 Pt1 Pt1 4_564 4 89.9(6) n
Sn3 Pt1 Pt1 16_556 4_554 89.9(6) n
Sn3 Pt1 Pt1 4_554 4_554 90.1(6) n
Sn3 Pt1 Pt1 16_446 4_554 89.9(6) n
Sn3 Pt1 Pt1 4_664 4_554 90.1(6) n
Sn3 Pt1 Pt1 16_546 4_554 89.9(6) n
Sn3 Pt1 Pt1 4_564 4_554 90.1(6) n
Pt1 Pt1 Pt1 4 4_554 180.0 n
Sn3 Pt1 Bi1 16_556 13 150.6(6) n
Sn3 Pt1 Bi1 4_554 13 29.4(6) n
Sn3 Pt1 Bi1 16_446 13 64.1(3) n
Sn3 Pt1 Bi1 4_664 13 115.9(3) n
Sn3 Pt1 Bi1 16_546 13 64.1(3) n
Sn3 Pt1 Bi1 4_564 13 115.9(3) n
Pt1 Pt1 Bi1 4 13 119.305(9) n
Pt1 Pt1 Bi1 4_554 13 60.695(9) n
Sn3 Pt1 Sn1 16_556 13 150.6(6) n
Sn3 Pt1 Sn1 4_554 13 29.4(6) n
Sn3 Pt1 Sn1 16_446 13 64.1(3) n
Sn3 Pt1 Sn1 4_664 13 115.9(3) n
Sn3 Pt1 Sn1 16_546 13 64.1(3) n
Sn3 Pt1 Sn1 4_564 13 115.9(3) n
Pt1 Pt1 Sn1 4 13 119.305(9) n
Pt1 Pt1 Sn1 4_554 13 60.695(9) n
Bi1 Pt1 Sn1 13 13 0.0 n
Sn3 Pt1 Pb1 16_556 13 150.6(6) n
Sn3 Pt1 Pb1 4_554 13 29.4(6) n
Sn3 Pt1 Pb1 16_446 13 64.1(3) n
Sn3 Pt1 Pb1 4_664 13 115.9(3) n
Sn3 Pt1 Pb1 16_546 13 64.1(3) n
Sn3 Pt1 Pb1 4_564 13 115.9(3) n
Pt1 Pt1 Pb1 4 13 119.305(9) n
Pt1 Pt1 Pb1 4_554 13 60.695(9) n
Bi1 Pt1 Pb1 13 13 0.0 n
Sn1 Pt1 Pb1 13 13 0.0 n
Sn3 Pt1 Sn2 16_556 13_666 64.2(3) n
Sn3 Pt1 Sn2 4_554 13_666 115.8(3) n
Sn3 Pt1 Sn2 16_446 13_666 150.8(6) n
Sn3 Pt1 Sn2 4_664 13_666 29.2(6) n
Sn3 Pt1 Sn2 16_546 13_666 64.2(3) n
Sn3 Pt1 Sn2 4_564 13_666 115.8(3) n
Pt1 Pt1 Sn2 4 13_666 60.695(9) n
Pt1 Pt1 Sn2 4_554 13_666 119.305(10) n
Sn3 Bi1 Sn3 . 16_556 180.0 n
Sn3 Bi1 Sn2 . 13_666 90.0000(10) n
Sn3 Bi1 Sn2 16_556 13_666 89.9990(10) n
Sn3 Bi1 Sn2 . 13_676 90.000(4) n
Sn3 Bi1 Sn2 16_556 13_676 90.000(4) n
Sn2 Bi1 Sn2 13_666 13_676 120.0 n
Sn3 Bi1 Sn2 . 13_566 90.000(5) n
Sn3 Bi1 Sn2 16_556 13_566 90.000(4) n
Sn2 Bi1 Sn2 13_666 13_566 120.0 n
Sn2 Bi1 Sn2 13_676 13_566 120.0 n
Sn3 Bi1 Sn2 . . 0.000(6) n
Sn3 Bi1 Sn2 16_556 . 180.0 n
Sn2 Bi1 Sn2 13_666 . 90.0 n
Sn2 Bi1 Sn2 13_676 . 90.0 n
Sn2 Bi1 Sn2 13_566 . 90.0 n
Sn3 Bi1 Sn2 . 1_554 180.0 n
Sn3 Bi1 Sn2 16_556 1_554 0.0000(10) n
Sn2 Bi1 Sn2 13_666 1_554 90.0 n
Sn2 Bi1 Sn2 13_676 1_554 90.0 n
Sn2 Bi1 Sn2 13_566 1_554 90.0 n
Sn2 Bi1 Sn2 . 1_554 180.0 n
Sn3 Bi1 Sn3 . 4_664 119.2(5) n
Sn3 Bi1 Sn3 16_556 4_664 60.8(5) n
Sn2 Bi1 Sn3 13_666 4_664 29.2(5) n
Sn2 Bi1 Sn3 13_676 4_664 115.87(13) n
Sn2 Bi1 Sn3 13_566 4_664 115.87(13) n
Sn2 Bi1 Sn3 . 4_664 119.2(5) n
Sn2 Bi1 Sn3 1_554 4_664 60.8(5) n
Sn3 Bi1 Sn3 . 13_666 60.8(5) n
Sn3 Bi1 Sn3 16_556 13_666 119.2(5) n
Sn2 Bi1 Sn3 13_666 13_666 29.2(5) n
Sn2 Bi1 Sn3 13_676 13_666 115.87(13) n
Sn2 Bi1 Sn3 13_566 13_666 115.87(13) n
Sn2 Bi1 Sn3 . 13_666 60.8(5) n
Sn2 Bi1 Sn3 1_554 13_666 119.2(5) n
Sn3 Bi1 Sn3 4_664 13_666 58.5(10) n
Sn3 Bi1 Sn3 . 4_564 119.2(5) n
Sn3 Bi1 Sn3 16_556 4_564 60.8(5) n
Sn2 Bi1 Sn3 13_666 4_564 115.87(13) n
Sn2 Bi1 Sn3 13_676 4_564 115.87(13) n
Sn2 Bi1 Sn3 13_566 4_564 29.2(5) n
Sn2 Bi1 Sn3 . 4_564 119.2(5) n
Sn2 Bi1 Sn3 1_554 4_564 60.8(5) n
Sn3 Bi1 Sn3 4_664 4_564 98.2(6) n
Sn3 Bi1 Sn3 13_666 4_564 128.3(3) n
Sn3 Bi1 Sn3 . 13_676 60.8(5) n
Sn3 Bi1 Sn3 16_556 13_676 119.2(5) n
Sn2 Bi1 Sn3 13_666 13_676 115.87(13) n
Sn2 Bi1 Sn3 13_676 13_676 29.2(5) n
Sn2 Bi1 Sn3 13_566 13_676 115.87(13) n
Sn2 Bi1 Sn3 . 13_676 60.8(5) n
Sn2 Bi1 Sn3 1_554 13_676 119.2(5) n
Sn3 Bi1 Sn3 4_664 13_676 128.3(3) n
Sn3 Bi1 Sn3 13_666 13_676 98.2(6) n
Sn3 Bi1 Sn3 4_564 13_676 128.3(3) n
Sn3 Bi1 Sn3 . 4_674 119.2(5) n
Sn3 Bi1 Sn3 16_556 4_674 60.8(5) n
Sn2 Bi1 Sn3 13_666 4_674 115.87(13) n
Sn2 Bi1 Sn3 13_676 4_674 29.2(5) n
Sn2 Bi1 Sn3 13_566 4_674 115.87(13) n
Sn2 Bi1 Sn3 . 4_674 119.2(5) n
Sn2 Bi1 Sn3 1_554 4_674 60.8(5) n
Sn3 Bi1 Sn3 4_664 4_674 98.2(6) n
Sn3 Bi1 Sn3 13_666 4_674 128.3(3) n
Sn3 Bi1 Sn3 4_564 4_674 98.2(6) n
Sn3 Bi1 Sn3 13_676 4_674 58.5(10) n
Sn3 Pb1 Sn3 . 16_556 180.0 n
Sn3 Pb1 Sn2 . 13_666 90.0000(10) n
Sn3 Pb1 Sn2 16_556 13_666 89.9990(10) n
Sn3 Pb1 Sn2 . 13_676 90.000(4) n
Sn3 Pb1 Sn2 16_556 13_676 90.000(4) n
Sn2 Pb1 Sn2 13_666 13_676 120.0 n
Sn3 Pb1 Sn2 . 13_566 90.000(5) n
Sn3 Pb1 Sn2 16_556 13_566 90.000(4) n
Sn2 Pb1 Sn2 13_666 13_566 120.0 n
Sn2 Pb1 Sn2 13_676 13_566 120.0 n
Sn3 Pb1 Sn2 . . 0.000(6) n
Sn3 Pb1 Sn2 16_556 . 180.0 n
Sn2 Pb1 Sn2 13_666 . 90.0 n
Sn2 Pb1 Sn2 13_676 . 90.0 n
Sn2 Pb1 Sn2 13_566 . 90.0 n
Sn3 Pb1 Sn2 . 1_554 180.0 n
Sn3 Pb1 Sn2 16_556 1_554 0.0000(10) n
Sn2 Pb1 Sn2 13_666 1_554 90.0 n
Sn2 Pb1 Sn2 13_676 1_554 90.0 n
Sn2 Pb1 Sn2 13_566 1_554 90.0 n
Sn2 Pb1 Sn2 . 1_554 180.0 n
Sn3 Pb1 Sn3 . 4_664 119.2(5) n
Sn3 Pb1 Sn3 16_556 4_664 60.8(5) n
Sn2 Pb1 Sn3 13_666 4_664 29.2(5) n
Sn2 Pb1 Sn3 13_676 4_664 115.87(13) n
Sn2 Pb1 Sn3 13_566 4_664 115.87(13) n
Sn2 Pb1 Sn3 . 4_664 119.2(5) n
Sn2 Pb1 Sn3 1_554 4_664 60.8(5) n
Sn3 Pb1 Sn3 . 13_666 60.8(5) n
Sn3 Pb1 Sn3 16_556 13_666 119.2(5) n
Sn2 Pb1 Sn3 13_666 13_666 29.2(5) n
Sn2 Pb1 Sn3 13_676 13_666 115.87(13) n
Sn2 Pb1 Sn3 13_566 13_666 115.87(13) n
Sn2 Pb1 Sn3 . 13_666 60.8(5) n
Sn2 Pb1 Sn3 1_554 13_666 119.2(5) n
Sn3 Pb1 Sn3 4_664 13_666 58.5(10) n
Sn3 Pb1 Sn3 . 4_564 119.2(5) n
Sn3 Pb1 Sn3 16_556 4_564 60.8(5) n
Sn2 Pb1 Sn3 13_666 4_564 115.87(13) n
Sn2 Pb1 Sn3 13_676 4_564 115.87(13) n
Sn2 Pb1 Sn3 13_566 4_564 29.2(5) n
Sn2 Pb1 Sn3 . 4_564 119.2(5) n
Sn2 Pb1 Sn3 1_554 4_564 60.8(5) n
Sn3 Pb1 Sn3 4_664 4_564 98.2(6) n
Sn3 Pb1 Sn3 13_666 4_564 128.3(3) n
Sn3 Pb1 Sn3 . 13_676 60.8(5) n
Sn3 Pb1 Sn3 16_556 13_676 119.2(5) n
Sn2 Pb1 Sn3 13_666 13_676 115.87(13) n
Sn2 Pb1 Sn3 13_676 13_676 29.2(5) n
Sn2 Pb1 Sn3 13_566 13_676 115.87(13) n
Sn2 Pb1 Sn3 . 13_676 60.8(5) n
Sn2 Pb1 Sn3 1_554 13_676 119.2(5) n
Sn3 Pb1 Sn3 4_664 13_676 128.3(3) n
Sn3 Pb1 Sn3 13_666 13_676 98.2(6) n
Sn3 Pb1 Sn3 4_564 13_676 128.3(3) n
Sn3 Pb1 Sn3 . 4_674 119.2(5) n
Sn3 Pb1 Sn3 16_556 4_674 60.8(5) n
Sn2 Pb1 Sn3 13_666 4_674 115.87(13) n
Sn2 Pb1 Sn3 13_676 4_674 29.2(5) n
Sn2 Pb1 Sn3 13_566 4_674 115.87(13) n
Sn2 Pb1 Sn3 . 4_674 119.2(5) n
Sn2 Pb1 Sn3 1_554 4_674 60.8(5) n
Sn3 Pb1 Sn3 4_664 4_674 98.2(6) n
Sn3 Pb1 Sn3 13_666 4_674 128.3(3) n
Sn3 Pb1 Sn3 4_564 4_674 98.2(6) n
Sn3 Pb1 Sn3 13_676 4_674 58.5(10) n
Sn3 Sn1 Sn3 . 16_556 180.0 n
Sn3 Sn1 Sn2 . 13_666 90.0000(10) n
Sn3 Sn1 Sn2 16_556 13_666 89.9990(10) n
Sn3 Sn1 Sn2 . 13_676 90.000(4) n
Sn3 Sn1 Sn2 16_556 13_676 90.000(4) n
Sn2 Sn1 Sn2 13_666 13_676 120.0 n
Sn3 Sn1 Sn2 . 13_566 90.000(5) n
Sn3 Sn1 Sn2 16_556 13_566 90.000(4) n
Sn2 Sn1 Sn2 13_666 13_566 120.0 n
Sn2 Sn1 Sn2 13_676 13_566 120.0 n
Sn3 Sn1 Sn2 . . 0.000(6) n
Sn3 Sn1 Sn2 16_556 . 180.0 n
Sn2 Sn1 Sn2 13_666 . 90.0 n
Sn2 Sn1 Sn2 13_676 . 90.0 n
Sn2 Sn1 Sn2 13_566 . 90.0 n
Sn3 Sn1 Sn2 . 1_554 180.0 n
Sn3 Sn1 Sn2 16_556 1_554 0.0000(10) n
Sn2 Sn1 Sn2 13_666 1_554 90.0 n
Sn2 Sn1 Sn2 13_676 1_554 90.0 n
Sn2 Sn1 Sn2 13_566 1_554 90.0 n
Sn2 Sn1 Sn2 . 1_554 180.0 n
Sn3 Sn1 Sn3 . 4_664 119.2(5) n
Sn3 Sn1 Sn3 16_556 4_664 60.8(5) n
Sn2 Sn1 Sn3 13_666 4_664 29.2(5) n
Sn2 Sn1 Sn3 13_676 4_664 115.87(13) n
Sn2 Sn1 Sn3 13_566 4_664 115.87(13) n
Sn2 Sn1 Sn3 . 4_664 119.2(5) n
Sn2 Sn1 Sn3 1_554 4_664 60.8(5) n
Sn3 Sn1 Sn3 . 13_666 60.8(5) n
Sn3 Sn1 Sn3 16_556 13_666 119.2(5) n
Sn2 Sn1 Sn3 13_666 13_666 29.2(5) n
Sn2 Sn1 Sn3 13_676 13_666 115.87(13) n
Sn2 Sn1 Sn3 13_566 13_666 115.87(13) n
Sn2 Sn1 Sn3 . 13_666 60.8(5) n
Sn2 Sn1 Sn3 1_554 13_666 119.2(5) n
Sn3 Sn1 Sn3 4_664 13_666 58.5(10) n
Sn3 Sn1 Sn3 . 4_564 119.2(5) n
Sn3 Sn1 Sn3 16_556 4_564 60.8(5) n
Sn2 Sn1 Sn3 13_666 4_564 115.87(13) n
Sn2 Sn1 Sn3 13_676 4_564 115.87(13) n
Sn2 Sn1 Sn3 13_566 4_564 29.2(5) n
Sn2 Sn1 Sn3 . 4_564 119.2(5) n
Sn2 Sn1 Sn3 1_554 4_564 60.8(5) n
Sn3 Sn1 Sn3 4_664 4_564 98.2(6) n
Sn3 Sn1 Sn3 13_666 4_564 128.3(3) n
Sn3 Sn1 Sn3 . 13_676 60.8(5) n
Sn3 Sn1 Sn3 16_556 13_676 119.2(5) n
Sn2 Sn1 Sn3 13_666 13_676 115.87(13) n
Sn2 Sn1 Sn3 13_676 13_676 29.2(5) n
Sn2 Sn1 Sn3 13_566 13_676 115.87(13) n
Sn2 Sn1 Sn3 . 13_676 60.8(5) n
Sn2 Sn1 Sn3 1_554 13_676 119.2(5) n
Sn3 Sn1 Sn3 4_664 13_676 128.3(3) n
Sn3 Sn1 Sn3 13_666 13_676 98.2(6) n
Sn3 Sn1 Sn3 4_564 13_676 128.3(3) n
Sn3 Sn1 Sn3 . 4_674 119.2(5) n
Sn3 Sn1 Sn3 16_556 4_674 60.8(5) n
Sn2 Sn1 Sn3 13_666 4_674 115.87(13) n
Sn2 Sn1 Sn3 13_676 4_674 29.2(5) n
Sn2 Sn1 Sn3 13_566 4_674 115.87(13) n
Sn2 Sn1 Sn3 . 4_674 119.2(5) n
Sn2 Sn1 Sn3 1_554 4_674 60.8(5) n
Sn3 Sn1 Sn3 4_664 4_674 98.2(6) n
Sn3 Sn1 Sn3 13_666 4_674 128.3(3) n
Sn3 Sn1 Sn3 4_564 4_674 98.2(6) n
Sn3 Sn1 Sn3 13_676 4_674 58.5(10) n
Sn3 Sn2 Sn3 16_557 . 180.0 n
Sn3 Sn2 Sn1 16_557 13_666 89.9990(10) n
Sn3 Sn2 Sn1 . 13_666 90.0000(10) n
Sn3 Sn2 Pb1 16_557 13_666 89.9990(10) n
Sn3 Sn2 Pb1 . 13_666 90.0000(10) n
Sn1 Sn2 Pb1 13_666 13_666 0.0 n
Sn3 Sn2 Bi1 16_557 13_666 89.9990(10) n
Sn3 Sn2 Bi1 . 13_666 90.0000(10) n
Sn1 Sn2 Bi1 13_666 13_666 0.0 n
Pb1 Sn2 Bi1 13_666 13_666 0.0 n
Sn3 Sn2 Sn1 16_557 13_676 90.000(6) n
Sn3 Sn2 Sn1 . 13_676 90.000(6) n
Sn1 Sn2 Sn1 13_666 13_676 120.0 n
Pb1 Sn2 Sn1 13_666 13_676 120.0 n
Bi1 Sn2 Sn1 13_666 13_676 120.0 n
Sn3 Sn2 Sn1 16_557 13_566 90.000(7) n
Sn3 Sn2 Sn1 . 13_566 90.000(7) n
Sn1 Sn2 Sn1 13_666 13_566 120.0 n
Pb1 Sn2 Sn1 13_666 13_566 120.0 n
Bi1 Sn2 Sn1 13_666 13_566 120.0 n
Sn1 Sn2 Sn1 13_676 13_566 120.0 n
Sn3 Sn2 Pb1 16_557 13_676 90.000(6) n
Sn3 Sn2 Pb1 . 13_676 90.000(6) n
Sn1 Sn2 Pb1 13_666 13_676 120.0 n
Pb1 Sn2 Pb1 13_666 13_676 120.0 n
Bi1 Sn2 Pb1 13_666 13_676 120.0 n
Sn1 Sn2 Pb1 13_676 13_676 0.0 n
Sn1 Sn2 Pb1 13_566 13_676 120.0 n
Sn3 Sn2 Pb1 16_557 13_566 90.000(7) n
Sn3 Sn2 Pb1 . 13_566 90.000(7) n
Sn1 Sn2 Pb1 13_666 13_566 120.0 n
Pb1 Sn2 Pb1 13_666 13_566 120.0 n
Bi1 Sn2 Pb1 13_666 13_566 120.0 n
Sn1 Sn2 Pb1 13_676 13_566 120.0 n
Sn1 Sn2 Pb1 13_566 13_566 0.0 n
Pb1 Sn2 Pb1 13_676 13_566 120.0 n
Sn3 Sn2 Bi1 16_557 13_676 90.000(6) n
Sn3 Sn2 Bi1 . 13_676 90.000(6) n
Sn1 Sn2 Bi1 13_666 13_676 120.0 n
Pb1 Sn2 Bi1 13_666 13_676 120.0 n
Bi1 Sn2 Bi1 13_666 13_676 120.0 n
Sn1 Sn2 Bi1 13_676 13_676 0.0 n
Sn1 Sn2 Bi1 13_566 13_676 120.0 n
Pb1 Sn2 Bi1 13_676 13_676 0.0 n
Pb1 Sn2 Bi1 13_566 13_676 120.0 n
Sn3 Sn2 Bi1 16_557 13_566 90.000(7) n
Sn3 Sn2 Bi1 . 13_566 90.000(7) n
Sn1 Sn2 Bi1 13_666 13_566 120.0 n
Pb1 Sn2 Bi1 13_666 13_566 120.0 n
Bi1 Sn2 Bi1 13_666 13_566 120.0 n
Sn1 Sn2 Bi1 13_676 13_566 120.0 n
Sn1 Sn2 Bi1 13_566 13_566 0.0 n
Pb1 Sn2 Bi1 13_676 13_566 120.0 n
Pb1 Sn2 Bi1 13_566 13_566 0.0 n
Bi1 Sn2 Bi1 13_676 13_566 120.0 n
Sn3 Sn2 Bi1 16_557 . 180.0 n
Sn3 Sn2 Bi1 . . 0.000(6) n
Sn1 Sn2 Bi1 13_666 . 90.0 n
Pb1 Sn2 Bi1 13_666 . 90.0 n
Bi1 Sn2 Bi1 13_666 . 90.0 n
Sn1 Sn2 Bi1 13_676 . 90.0 n
Sn1 Sn2 Bi1 13_566 . 90.0 n
Pb1 Sn2 Bi1 13_676 . 90.0 n
Pb1 Sn2 Bi1 13_566 . 90.0 n
Bi1 Sn2 Bi1 13_676 . 90.0 n
Bi1 Sn2 Bi1 13_566 . 90.0 n
Sn2 Sn3 Bi1 . . 180.0 n
Sn2 Sn3 Pb1 . . 180.0 n
Bi1 Sn3 Pb1 . . 0.0 n
Sn2 Sn3 Sn1 . . 180.0 n
Bi1 Sn3 Sn1 . . 0.0 n
Pb1 Sn3 Sn1 . . 0.0 n
Sn2 Sn3 Sn3 . 13_666 90.2(13) n
Bi1 Sn3 Sn3 . 13_666 89.8(13) n
Pb1 Sn3 Sn3 . 13_666 89.8(13) n
Sn1 Sn3 Sn3 . 13_666 89.8(13) n
Sn2 Sn3 Pt1 . 4_565 90.1(6) n
Bi1 Sn3 Pt1 . 4_565 89.9(6) n
Pb1 Sn3 Pt1 . 4_565 89.9(6) n
Sn1 Sn3 Pt1 . 4_565 89.9(6) n
Sn3 Sn3 Pt1 13_666 4_565 179.7(19) n
Sn2 Sn3 Pt1 . 4_665 90.1(6) n
Bi1 Sn3 Pt1 . 4_665 89.9(6) n
Pb1 Sn3 Pt1 . 4_665 89.9(6) n
Sn1 Sn3 Pt1 . 4_665 89.9(6) n
Sn3 Sn3 Pt1 13_666 4_665 60.0000(10) n
Pt1 Sn3 Pt1 4_565 4_665 120.000(4) n
Sn2 Sn3 Pt1 . 4 90.1(6) n
Bi1 Sn3 Pt1 . 4 89.9(6) n
Pb1 Sn3 Pt1 . 4 89.9(6) n
Sn1 Sn3 Pt1 . 4 89.9(6) n
Sn3 Sn3 Pt1 13_666 4 60.000(5) n
Pt1 Sn3 Pt1 4_565 4 120.000(4) n
Pt1 Sn3 Pt1 4_665 4 120.000(4) n
Sn2 Sn3 Sn3 . 13_676 90.2(13) n
Bi1 Sn3 Sn3 . 13_676 89.8(13) n
Pb1 Sn3 Sn3 . 13_676 89.8(13) n
Sn1 Sn3 Sn3 . 13_676 89.8(13) n
Pt1 Sn3 Sn3 4_565 13_676 60.0 n
Pt1 Sn3 Sn3 4_665 13_676 60.0000(10) n
Pt1 Sn3 Sn3 4 13_676 179.7(19) n
Sn2 Sn3 Sn3 . 13_566 90.2(13) n
Bi1 Sn3 Sn3 . 13_566 89.8(13) n
Pb1 Sn3 Sn3 . 13_566 89.8(13) n
Sn1 Sn3 Sn3 . 13_566 89.8(13) n
Pt1 Sn3 Sn3 4_565 13_566 59.999(4) n
Pt1 Sn3 Sn3 4_665 13_566 179.7(19) n
Pt1 Sn3 Sn3 4 13_566 60.000(6) n
Sn2 Sn3 Sn3 . 16_557 0.0 n
Bi1 Sn3 Sn3 . 16_557 180.0 n
Pb1 Sn3 Sn3 . 16_557 180.0 n
Sn1 Sn3 Sn3 . 16_557 180.0 n
Sn3 Sn3 Sn3 13_666 16_557 90.2(13) n
Pt1 Sn3 Sn3 4_565 16_557 90.1(6) n
Pt1 Sn3 Sn3 4_665 16_557 90.1(6) n
Pt1 Sn3 Sn3 4 16_557 90.1(6) n
Sn3 Sn3 Sn3 13_676 16_557 90.2(13) n
Sn3 Sn3 Sn3 13_566 16_557 90.2(13) n
Sn2 Sn3 Sn3 . 16_556 180.0 n
Bi1 Sn3 Sn3 . 16_556 0.0 n
Pb1 Sn3 Sn3 . 16_556 0.0 n
Sn1 Sn3 Sn3 . 16_556 0.0 n
Sn3 Sn3 Sn3 13_666 16_556 89.8(13) n
Pt1 Sn3 Sn3 4_565 16_556 89.9(6) n
Pt1 Sn3 Sn3 4_665 16_556 89.9(6) n
Pt1 Sn3 Sn3 4 16_556 89.9(6) n
Sn3 Sn3 Sn3 13_676 16_556 89.8(13) n
Sn3 Sn3 Sn3 13_566 16_556 89.8(13) n
Sn3 Sn3 Sn3 16_557 16_556 180.0 n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 Sn3 16_556 2.4410(6) n
Pt1 Sn3 4_554 2.4410(6) n
Pt1 Sn3 16_446 2.4410(6) n
Pt1 Sn3 4_664 2.4410(6) n
Pt1 Sn3 16_546 2.4411(6) n
Pt1 Sn3 4_564 2.4411(6) n
Pt1 Pt1 4 2.7402(9) n
Pt1 Pt1 4_554 2.7402(9) n
Pt1 Bi1 13 2.7993(5) n
Pt1 Sn1 13 2.7993(5) n
Pt1 Pb1 13 2.7993(5) n
Pt1 Sn2 13_666 2.7993(5) n
Bi1 Sn3 . 1.37(3) n
Bi1 Sn3 16_556 1.37(3) n
Bi1 Sn2 13_666 2.4410(6) n
Bi1 Sn2 13_676 2.4410(6) n
Bi1 Sn2 13_566 2.4410(6) n
Bi1 Sn2 . 2.7403(8) n
Bi1 Sn2 1_554 2.7402(9) n
Bi1 Sn3 4_664 2.797(13) n
Bi1 Sn3 13_666 2.797(13) n
Bi1 Sn3 4_564 2.797(13) n
Bi1 Sn3 13_676 2.797(13) n
Bi1 Sn3 4_674 2.797(13) n
Pb1 Sn3 . 1.37(3) n
Pb1 Sn3 16_556 1.37(3) n
Pb1 Sn2 13_666 2.4410(6) n
Pb1 Sn2 13_676 2.4410(6) n
Pb1 Sn2 13_566 2.4410(6) n
Pb1 Sn2 . 2.7403(8) n
Pb1 Sn2 1_554 2.7402(9) n
Pb1 Sn3 4_664 2.797(13) n
Pb1 Sn3 13_666 2.797(13) n
Pb1 Sn3 4_564 2.797(13) n
Pb1 Sn3 13_676 2.797(13) n
Pb1 Sn3 4_674 2.797(13) n
Sn1 Sn3 . 1.37(3) n
Sn1 Sn3 16_556 1.37(3) n
Sn1 Sn2 13_666 2.4410(6) n
Sn1 Sn2 13_676 2.4410(6) n
Sn1 Sn2 13_566 2.4410(6) n
Sn1 Sn2 . 2.7403(8) n
Sn1 Sn2 1_554 2.7402(9) n
Sn1 Sn3 4_664 2.797(13) n
Sn1 Sn3 13_666 2.797(13) n
Sn1 Sn3 4_564 2.797(13) n
Sn1 Sn3 13_676 2.797(13) n
Sn1 Sn3 4_674 2.797(13) n
Sn2 Sn3 16_557 1.37(3) n
Sn2 Sn3 . 1.37(3) n
Sn2 Sn1 13_666 2.4410(6) n
Sn2 Pb1 13_666 2.4410(6) n
Sn2 Bi1 13_666 2.4410(6) n
Sn2 Sn1 13_676 2.4410(6) n
Sn2 Sn1 13_566 2.4410(6) n
Sn2 Pb1 13_676 2.4410(6) n
Sn2 Pb1 13_566 2.4410(6) n
Sn2 Bi1 13_676 2.4410(6) n
Sn2 Bi1 13_566 2.4410(6) n
Sn3 Sn3 13_666 2.4410(6) n
Sn3 Pt1 4_565 2.4410(6) n
Sn3 Pt1 4_665 2.4410(6) n
Sn3 Pt1 4 2.4410(6) n
Sn3 Sn3 13_676 2.4411(6) n
Sn3 Sn3 13_566 2.4411(7) n
Sn3 Sn3 16_557 2.73(5) n
Sn3 Sn3 16_556 2.75(5) n
