#------------------------------------------------------------------------------
#$Date: 2016-02-21 11:56:54 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176809 $
#$URL: svn://www.crystallography.net/cod/cif/2/30/04/2300485.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_2300485
loop_
_publ_author_name
'Krause, Lennard'
'Herbst-Irmer, Regine'
'Sheldrick, George M.'
'Stalke, Dietmar'
_publ_section_title
;
 Comparison of silver and molybdenum microfocus X-ray sources for
 single-crystal structure determination
;
_journal_coeditor_code           aj5242
_journal_issue                   1
_journal_name_full               'Journal of Applied Crystallography'
_journal_paper_doi               10.1107/S1600576714022985
_journal_volume                  48
_journal_year                    2015
_chemical_formula_moiety         'Pt7 Sc4 Si2'
_chemical_formula_sum            'Pt7 Sc4 Si2'
_chemical_formula_weight         1601.65
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           55
_space_group_name_Hall           '-P 2 2ab'
_space_group_name_H-M_alt        'P b a m'
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.462(2)
_cell_length_b                   16.147(3)
_cell_length_c                   3.988(2)
_cell_measurement_reflns_used    9935
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      57.242
_cell_measurement_theta_min      2.679
_cell_volume                     416.1(3)
_computing_cell_refinement       'SAINT V7.68A'
_computing_data_collection       'APEX2 v2012.2'
_computing_data_reduction        'SAINT V7.68A'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2012 (Sheldrick, 2012)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker Smart APEX II Quazar'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0715
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            84931
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        19.665
_diffrn_reflns_theta_max         57.808
_diffrn_reflns_theta_min         1.991
_diffrn_source                   'INCOATEC Microsource'
_exptl_absorpt_coefficient_mu    65.255
_exptl_absorpt_correction_T_max  0.3305
_exptl_absorpt_correction_T_min  0.1457
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2014/4
_exptl_crystal_density_diffrn    12.783
_exptl_crystal_F_000             1316
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.020
_refine_diff_density_max         4.549
_refine_diff_density_min         -10.518
_refine_diff_density_rms         1.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.241
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         6207
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.241
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0240
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0096P)²+0.9879P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0459
_refine_ls_wR_factor_ref         0.0469
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5353
_reflns_number_total             6207
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            aj5242sup1.cif
_cod_data_source_block           1-(Ag)
_cod_database_code               2300485
_cod_database_fobs_code          2300485
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.111
_shelx_estimated_absorpt_t_max   0.355
_shelxl_version_number           2014-3
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Pt01 Pt 0.5000 0.5000 0.0000 0.00274(1) Uani 1 4 d S T P
Pt02 Pt -0.09659(2) 0.42139(2) -1.0000 0.00290(1) Uani 1 2 d S T P
Pt03 Pt 0.59273(2) 0.38255(2) -0.5000 0.00266(1) Uani 1 2 d S T P
Pt04 Pt 0.28692(2) 0.33330(2) -1.0000 0.00293(1) Uani 1 2 d S T P
Sc01 Sc 0.21412(6) 0.46091(2) -0.5000 0.00351(4) Uani 1 2 d S T P
Sc02 Sc 0.97516(6) 0.29091(2) -0.5000 0.00361(4) Uani 1 2 d S T P
Si1 Si 0.66076(12) 0.30680(5) -1.0000 0.00353(8) Uani 1 2 d S T P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Si Si 0.0522 0.0431 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.1829 0.2348 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -0.6812 5.7081 '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
Sc01 Pt01 Sc01 180.0 . 5_665
Sc01 Pt01 Sc01 88.79(3) . 5_664
Sc01 Pt01 Sc01 91.21(4) 5_665 5_664
Sc01 Pt01 Sc01 91.21(3) . 1_556
Sc01 Pt01 Sc01 88.79(4) 5_665 1_556
Sc01 Pt01 Sc01 180.000(15) 5_664 1_556
Sc01 Pt01 Pt03 58.84(2) . .
Sc01 Pt01 Pt03 121.16(2) 5_665 .
Sc01 Pt01 Pt03 60.368(19) 5_664 .
Sc01 Pt01 Pt03 119.632(19) 1_556 .
Sc01 Pt01 Pt03 121.16(2) . 5_665
Sc01 Pt01 Pt03 58.84(2) 5_665 5_665
Sc01 Pt01 Pt03 119.632(19) 5_664 5_665
Sc01 Pt01 Pt03 60.368(19) 1_556 5_665
Pt03 Pt01 Pt03 180.0 . 5_665
Sc01 Pt01 Pt03 119.632(19) . 1_556
Sc01 Pt01 Pt03 60.37(2) 5_665 1_556
Sc01 Pt01 Pt03 121.16(2) 5_664 1_556
Sc01 Pt01 Pt03 58.84(2) 1_556 1_556
Pt03 Pt01 Pt03 90.15(3) . 1_556
Pt03 Pt01 Pt03 89.85(3) 5_665 1_556
Sc01 Pt01 Pt03 60.37(2) . 5_664
Sc01 Pt01 Pt03 119.632(19) 5_665 5_664
Sc01 Pt01 Pt03 58.84(2) 5_664 5_664
Sc01 Pt01 Pt03 121.16(2) 1_556 5_664
Pt03 Pt01 Pt03 89.85(3) . 5_664
Pt03 Pt01 Pt03 90.15(3) 5_665 5_664
Pt03 Pt01 Pt03 180.0 1_556 5_664
Sc01 Pt01 Pt02 119.748(17) . 1_656
Sc01 Pt01 Pt02 60.252(17) 5_665 1_656
Sc01 Pt01 Pt02 60.252(17) 5_664 1_656
Sc01 Pt01 Pt02 119.748(17) 1_556 1_656
Pt03 Pt01 Pt02 60.917(9) . 1_656
Pt03 Pt01 Pt02 119.083(9) 5_665 1_656
Pt03 Pt01 Pt02 60.917(9) 1_556 1_656
Pt03 Pt01 Pt02 119.083(9) 5_664 1_656
Sc01 Pt01 Pt02 60.252(17) . 5_564
Sc01 Pt01 Pt02 119.748(17) 5_665 5_564
Sc01 Pt01 Pt02 119.748(17) 5_664 5_564
Sc01 Pt01 Pt02 60.252(17) 1_556 5_564
Pt03 Pt01 Pt02 119.083(9) . 5_564
Pt03 Pt01 Pt02 60.917(9) 5_665 5_564
Pt03 Pt01 Pt02 119.083(9) 1_556 5_564
Pt03 Pt01 Pt02 60.917(9) 5_664 5_564
Pt02 Pt01 Pt02 180.0 1_656 5_564
Sc01 Pt01 Pt04 59.811(12) . 1_556
Sc01 Pt01 Pt04 120.190(13) 5_665 1_556
Sc01 Pt01 Pt04 120.190(13) 5_664 1_556
Sc01 Pt01 Pt04 59.810(13) 1_556 1_556
Pt03 Pt01 Pt04 59.826(13) . 1_556
Pt03 Pt01 Pt04 120.174(13) 5_665 1_556
Pt03 Pt01 Pt04 59.826(13) 1_556 1_556
Pt03 Pt01 Pt04 120.174(13) 5_664 1_556
Pt02 Pt01 Pt04 91.129(17) 1_656 1_556
Pt02 Pt01 Pt04 88.871(17) 5_564 1_556
Sc01 Pt01 Pt04 120.189(12) . 5_664
Sc01 Pt01 Pt04 59.810(13) 5_665 5_664
Sc01 Pt01 Pt04 59.810(13) 5_664 5_664
Sc01 Pt01 Pt04 120.190(13) 1_556 5_664
Pt03 Pt01 Pt04 120.174(13) . 5_664
Pt03 Pt01 Pt04 59.826(13) 5_665 5_664
Pt03 Pt01 Pt04 120.174(13) 1_556 5_664
Pt03 Pt01 Pt04 59.826(13) 5_664 5_664
Pt02 Pt01 Pt04 88.871(17) 1_656 5_664
Pt02 Pt01 Pt04 91.129(17) 5_564 5_664
Pt04 Pt01 Pt04 180.0 1_556 5_664
Si1 Pt02 Pt02 165.908(19) 1_455 5_563
Si1 Pt02 Sc01 109.610(19) 1_455 5_564
Pt02 Pt02 Sc01 61.343(15) 5_563 5_564
Si1 Pt02 Sc01 109.61(2) 1_455 5_563
Pt02 Pt02 Sc01 61.343(15) 5_563 5_563
Sc01 Pt02 Sc01 88.51(3) 5_564 5_563
Si1 Pt02 Pt04 100.42(3) 1_455 .
Pt02 Pt02 Pt04 93.667(17) 5_563 .
Sc01 Pt02 Pt04 124.166(13) 5_564 .
Sc01 Pt02 Pt04 124.166(13) 5_563 .
Si1 Pt02 Pt03 52.198(16) 1_455 1_454
Pt02 Pt02 Pt03 119.993(10) 5_563 1_454
Sc01 Pt02 Pt03 116.10(2) 5_564 1_454
Sc01 Pt02 Pt03 58.650(19) 5_563 1_454
Pt04 Pt02 Pt03 119.540(15) . 1_454
Si1 Pt02 Pt03 52.198(16) 1_455 1_455
Pt02 Pt02 Pt03 119.993(10) 5_563 1_455
Sc01 Pt02 Pt03 58.650(19) 5_564 1_455
Sc01 Pt02 Pt03 116.10(2) 5_563 1_455
Pt04 Pt02 Pt03 119.540(15) . 1_455
Pt03 Pt02 Pt03 86.94(3) 1_454 1_455
Si1 Pt02 Pt01 75.68(3) 1_455 1_454
Pt02 Pt02 Pt01 90.225(17) 5_563 1_454
Sc01 Pt02 Pt01 57.986(12) 5_564 1_454
Sc01 Pt02 Pt01 57.986(12) 5_563 1_454
Pt04 Pt02 Pt01 176.108(4) . 1_454
Pt03 Pt02 Pt01 58.127(15) 1_454 1_454
Pt03 Pt02 Pt01 58.127(15) 1_455 1_454
Si1 Pt02 Sc01 127.973(17) 1_455 1_554
Pt02 Pt02 Sc01 59.812(12) 5_563 1_554
Sc01 Pt02 Sc01 121.155(18) 5_564 1_554
Sc01 Pt02 Sc01 63.77(2) 5_563 1_554
Pt04 Pt02 Sc01 60.606(17) . 1_554
Pt03 Pt02 Sc01 93.10(3) 1_454 1_554
Pt03 Pt02 Sc01 179.792(8) 1_455 1_554
Pt01 Pt02 Sc01 121.737(17) 1_454 1_554
Si1 Pt02 Sc01 127.974(17) 1_455 .
Pt02 Pt02 Sc01 59.812(12) 5_563 .
Sc01 Pt02 Sc01 63.77(2) 5_564 .
Sc01 Pt02 Sc01 121.155(18) 5_563 .
Pt04 Pt02 Sc01 60.606(17) . .
Pt03 Pt02 Sc01 179.792(8) 1_454 .
Pt03 Pt02 Sc01 93.10(3) 1_455 .
Pt01 Pt02 Sc01 121.737(17) 1_454 .
Sc01 Pt02 Sc01 86.85(3) 1_554 .
Si1 Pt02 Sc02 63.569(19) 1_455 1_454
Pt02 Pt02 Sc02 125.025(15) 5_563 1_454
Sc01 Pt02 Sc02 173.043(12) 5_564 1_454
Sc01 Pt02 Sc02 92.60(3) 5_563 1_454
Pt04 Pt02 Sc02 60.403(12) . 1_454
Pt03 Pt02 Sc02 59.14(2) 1_454 1_454
Pt03 Pt02 Sc02 114.90(2) 1_455 1_454
Pt01 Pt02 Sc02 117.121(11) 1_454 1_454
Sc01 Pt02 Sc02 65.29(2) 1_554 1_454
Sc01 Pt02 Sc02 121.00(2) . 1_454
Si1 Pt02 Sc02 63.569(19) 1_455 1_455
Pt02 Pt02 Sc02 125.025(15) 5_563 1_455
Sc01 Pt02 Sc02 92.60(3) 5_564 1_455
Sc01 Pt02 Sc02 173.043(12) 5_563 1_455
Pt04 Pt02 Sc02 60.403(12) . 1_455
Pt03 Pt02 Sc02 114.90(2) 1_454 1_455
Pt03 Pt02 Sc02 59.14(2) 1_455 1_455
Pt01 Pt02 Sc02 117.121(11) 1_454 1_455
Sc01 Pt02 Sc02 121.00(2) 1_554 1_455
Sc01 Pt02 Sc02 65.29(2) . 1_455
Sc02 Pt02 Sc02 85.49(3) 1_454 1_455
Si1 Pt03 Si1 113.81(4) 1_556 .
Si1 Pt03 Sc01 113.59(2) 1_556 .
Si1 Pt03 Sc01 113.59(2) . .
Si1 Pt03 Pt01 78.01(3) 1_556 .
Si1 Pt03 Pt01 168.088(16) . .
Sc01 Pt03 Pt01 60.111(10) . .
Si1 Pt03 Pt01 168.087(16) 1_556 1_554
Si1 Pt03 Pt01 78.01(3) . 1_554
Sc01 Pt03 Pt01 60.111(10) . 1_554
Pt01 Pt03 Pt01 90.15(3) . 1_554
Si1 Pt03 Sc01 112.27(2) 1_556 5_664
Si1 Pt03 Sc01 112.27(2) . 5_664
Sc01 Pt03 Sc01 88.93(2) . 5_664
Pt01 Pt03 Sc01 59.363(14) . 5_664
Pt01 Pt03 Sc01 59.363(13) 1_554 5_664
Si1 Pt03 Sc02 65.01(2) 1_556 .
Si1 Pt03 Sc02 65.01(2) . .
Sc01 Pt03 Sc02 176.435(11) . .
Pt01 Pt03 Sc02 121.902(11) . .
Pt01 Pt03 Sc02 121.902(11) 1_554 .
Sc01 Pt03 Sc02 94.63(2) 5_664 .
Si1 Pt03 Pt02 53.62(2) 1_556 1_656
Si1 Pt03 Pt02 124.03(3) . 1_656
Sc01 Pt03 Pt02 121.054(16) . 1_656
Pt01 Pt03 Pt02 60.96(2) . 1_656
Pt01 Pt03 Pt02 119.257(18) 1_554 1_656
Sc01 Pt03 Pt02 59.950(11) 5_664 1_656
Sc02 Pt03 Pt02 61.111(16) . 1_656
Si1 Pt03 Pt02 124.03(3) 1_556 1_655
Si1 Pt03 Pt02 53.62(2) . 1_655
Sc01 Pt03 Pt02 121.054(16) . 1_655
Pt01 Pt03 Pt02 119.257(18) . 1_655
Pt01 Pt03 Pt02 60.96(2) 1_554 1_655
Sc01 Pt03 Pt02 59.950(11) 5_664 1_655
Sc02 Pt03 Pt02 61.111(16) . 1_655
Pt02 Pt03 Pt02 86.94(3) 1_656 1_655
Si1 Pt03 Sc02 63.41(2) 1_556 7_565
Si1 Pt03 Sc02 63.41(2) . 7_565
Sc01 Pt03 Sc02 102.170(18) . 7_565
Pt01 Pt03 Sc02 126.456(13) . 7_565
Pt01 Pt03 Sc02 126.456(13) 1_554 7_565
Sc01 Pt03 Sc02 168.896(12) 5_664 7_565
Sc02 Pt03 Sc02 74.265(16) . 7_565
Pt02 Pt03 Sc02 112.969(9) 1_656 7_565
Pt02 Pt03 Sc02 112.969(9) 1_655 7_565
Si1 Pt03 Pt04 123.89(3) 1_556 .
Si1 Pt03 Pt04 54.02(3) . .
Sc01 Pt03 Pt04 61.551(16) . .
Pt01 Pt03 Pt04 121.55(2) . .
Pt01 Pt03 Pt04 63.614(18) 1_554 .
Sc01 Pt03 Pt04 122.972(11) 5_664 .
Sc02 Pt03 Pt04 116.172(16) . .
Pt02 Pt03 Pt04 176.656(4) 1_656 .
Pt02 Pt03 Pt04 93.32(3) 1_655 .
Sc02 Pt03 Pt04 63.875(9) 7_565 .
Si1 Pt03 Pt04 54.02(3) 1_556 1_556
Si1 Pt03 Pt04 123.89(3) . 1_556
Sc01 Pt03 Pt04 61.551(17) . 1_556
Pt01 Pt03 Pt04 63.614(19) . 1_556
Pt01 Pt03 Pt04 121.55(2) 1_554 1_556
Sc01 Pt03 Pt04 122.973(11) 5_664 1_556
Sc02 Pt03 Pt04 116.171(16) . 1_556
Pt02 Pt03 Pt04 93.32(3) 1_656 1_556
Pt02 Pt03 Pt04 176.655(4) 1_655 1_556
Sc02 Pt03 Pt04 63.874(9) 7_565 1_556
Pt04 Pt03 Pt04 86.22(3) . 1_556
Si1 Pt04 Si1 99.77(2) 7_565 .
Si1 Pt04 Pt02 100.04(2) 7_565 .
Si1 Pt04 Pt02 160.191(19) . .
Si1 Pt04 Sc01 127.750(17) 7_565 1_554
Si1 Pt04 Sc01 106.447(15) . 1_554
Pt02 Pt04 Sc01 60.433(12) . 1_554
Si1 Pt04 Sc01 127.750(17) 7_565 .
Si1 Pt04 Sc01 106.447(15) . .
Pt02 Pt04 Sc01 60.434(11) . .
Sc01 Pt04 Sc01 86.67(3) 1_554 .
Si1 Pt04 Sc02 62.931(16) 7_565 1_454
Si1 Pt04 Sc02 129.743(18) . 1_454
Pt02 Pt04 Sc02 61.161(17) . 1_454
Sc01 Pt04 Sc02 65.50(2) 1_554 1_454
Sc01 Pt04 Sc02 121.59(2) . 1_454
Si1 Pt04 Sc02 62.931(16) 7_565 1_455
Si1 Pt04 Sc02 129.743(18) . 1_455
Pt02 Pt04 Sc02 61.161(17) . 1_455
Sc01 Pt04 Sc02 121.59(2) 1_554 1_455
Sc01 Pt04 Sc02 65.50(2) . 1_455
Sc02 Pt04 Sc02 86.28(3) 1_454 1_455
Si1 Pt04 Pt03 119.079(15) 7_565 .
Si1 Pt04 Pt03 51.731(17) . .
Pt02 Pt04 Pt03 116.855(15) . .
Sc01 Pt04 Pt03 112.67(2) 1_554 .
Sc01 Pt04 Pt03 56.456(19) . .
Sc02 Pt04 Pt03 177.698(8) 1_454 .
Sc02 Pt04 Pt03 93.70(3) 1_455 .
Si1 Pt04 Pt03 119.079(14) 7_565 1_554
Si1 Pt04 Pt03 51.731(17) . 1_554
Pt02 Pt04 Pt03 116.855(15) . 1_554
Sc01 Pt04 Pt03 56.46(2) 1_554 1_554
Sc01 Pt04 Pt03 112.67(2) . 1_554
Sc02 Pt04 Pt03 93.70(3) 1_454 1_554
Sc02 Pt04 Pt03 177.698(8) 1_455 1_554
Pt03 Pt04 Pt03 86.22(3) . 1_554
Si1 Pt04 Pt01 172.727(19) 7_565 1_554
Si1 Pt04 Pt01 72.95(2) . 1_554
Pt02 Pt04 Pt01 87.237(18) . 1_554
Sc01 Pt04 Pt01 56.112(14) 1_554 1_554
Sc01 Pt04 Pt01 56.111(15) . 1_554
Sc02 Pt04 Pt01 121.575(12) 1_454 1_554
Sc02 Pt04 Pt01 121.575(13) 1_455 1_554
Pt03 Pt04 Pt01 56.560(10) . 1_554
Pt03 Pt04 Pt01 56.560(10) 1_554 1_554
Si1 Pt04 Sc02 61.386(19) 7_565 7_564
Si1 Pt04 Sc02 59.823(16) . 7_564
Pt02 Pt04 Sc02 131.833(14) . 7_564
Sc01 Pt04 Sc02 94.67(3) 1_554 7_564
Sc01 Pt04 Sc02 166.026(12) . 7_564
Sc02 Pt04 Sc02 71.16(2) 1_454 7_564
Sc02 Pt04 Sc02 124.259(17) 1_455 7_564
Pt03 Pt04 Sc02 110.65(2) . 7_564
Pt03 Pt04 Sc02 57.813(18) 1_554 7_564
Pt01 Pt04 Sc02 113.581(16) 1_554 7_564
Si1 Pt04 Sc02 61.386(19) 7_565 7_565
Si1 Pt04 Sc02 59.823(16) . 7_565
Pt02 Pt04 Sc02 131.833(14) . 7_565
Sc01 Pt04 Sc02 166.027(12) 1_554 7_565
Sc01 Pt04 Sc02 94.67(3) . 7_565
Sc02 Pt04 Sc02 124.260(16) 1_454 7_565
Sc02 Pt04 Sc02 71.16(2) 1_455 7_565
Pt03 Pt04 Sc02 57.813(19) . 7_565
Pt03 Pt04 Sc02 110.65(2) 1_554 7_565
Pt01 Pt04 Sc02 113.581(16) 1_554 7_565
Sc02 Pt04 Sc02 80.74(3) 7_564 7_565
Pt03 Sc01 Pt01 61.045(16) . .
Pt03 Sc01 Pt01 61.045(16) . 1_554
Pt01 Sc01 Pt01 91.21(3) . 1_554
Pt03 Sc01 Pt03 91.07(2) . 5_664
Pt01 Sc01 Pt03 60.269(12) . 5_664
Pt01 Sc01 Pt03 60.269(12) 1_554 5_664
Pt03 Sc01 Pt02 122.793(14) . 5_564
Pt01 Sc01 Pt02 61.76(2) . 5_564
Pt01 Sc01 Pt02 121.61(2) 1_554 5_564
Pt03 Sc01 Pt02 61.400(15) 5_664 5_564
Pt03 Sc01 Pt02 122.793(14) . 5_563
Pt01 Sc01 Pt02 121.61(2) . 5_563
Pt01 Sc01 Pt02 61.76(2) 1_554 5_563
Pt03 Sc01 Pt02 61.400(15) 5_664 5_563
Pt02 Sc01 Pt02 88.51(3) 5_564 5_563
Pt03 Sc01 Pt02 120.915(17) . .
Pt01 Sc01 Pt02 177.648(12) . .
Pt01 Sc01 Pt02 90.96(3) 1_554 .
Pt03 Sc01 Pt02 120.244(13) 5_664 .
Pt02 Sc01 Pt02 116.23(2) 5_564 .
Pt02 Sc01 Pt02 58.845(18) 5_563 .
Pt03 Sc01 Pt02 120.916(17) . 1_556
Pt01 Sc01 Pt02 90.96(3) . 1_556
Pt01 Sc01 Pt02 177.648(12) 1_554 1_556
Pt03 Sc01 Pt02 120.244(13) 5_664 1_556
Pt02 Sc01 Pt02 58.844(18) 5_564 1_556
Pt02 Sc01 Pt02 116.23(2) 5_563 1_556
Pt02 Sc01 Pt02 86.85(3) . 1_556
Pt03 Sc01 Pt04 61.993(11) . .
Pt01 Sc01 Pt04 122.93(2) . .
Pt01 Sc01 Pt04 64.078(19) 1_554 .
Pt03 Sc01 Pt04 124.343(16) 5_664 .
Pt02 Sc01 Pt04 173.500(16) 5_564 .
Pt02 Sc01 Pt04 92.05(3) 5_563 .
Pt02 Sc01 Pt04 58.960(19) . .
Pt02 Sc01 Pt04 115.33(2) 1_556 .
Pt03 Sc01 Pt04 61.993(11) . 1_556
Pt01 Sc01 Pt04 64.078(19) . 1_556
Pt01 Sc01 Pt04 122.93(2) 1_554 1_556
Pt03 Sc01 Pt04 124.343(16) 5_664 1_556
Pt02 Sc01 Pt04 92.05(3) 5_564 1_556
Pt02 Sc01 Pt04 173.500(16) 5_563 1_556
Pt02 Sc01 Pt04 115.33(2) . 1_556
Pt02 Sc01 Pt04 58.961(19) 1_556 1_556
Pt04 Sc01 Pt04 86.67(3) . 1_556
Pt03 Sc01 Sc01 177.18(2) . 5_564
Pt01 Sc01 Sc01 120.558(19) . 5_564
Pt01 Sc01 Sc01 120.558(19) 1_554 5_564
Pt03 Sc01 Sc01 91.76(2) 5_664 5_564
Pt02 Sc01 Sc01 58.811(13) 5_564 5_564
Pt02 Sc01 Sc01 58.811(13) 5_563 5_564
Pt02 Sc01 Sc01 57.424(18) . 5_564
Pt02 Sc01 Sc01 57.423(18) 1_556 5_564
Pt04 Sc01 Sc01 116.209(15) . 5_564
Pt04 Sc01 Sc01 116.209(16) 1_556 5_564
Pt03 Sc01 Sc02 92.01(2) . 1_455
Pt01 Sc01 Sc02 121.447(14) . 1_455
Pt01 Sc01 Sc02 121.447(14) 1_554 1_455
Pt03 Sc01 Sc02 176.921(17) 5_664 1_455
Pt02 Sc01 Sc02 116.704(17) 5_564 1_455
Pt02 Sc01 Sc02 116.704(17) 5_563 1_455
Pt02 Sc01 Sc02 57.922(14) . 1_455
Pt02 Sc01 Sc02 57.923(13) 1_556 1_455
Pt04 Sc01 Sc02 57.408(15) . 1_455
Pt04 Sc01 Sc02 57.407(15) 1_556 1_455
Sc01 Sc01 Sc02 85.16(2) 5_564 1_455
Si1 Sc02 Si1 90.35(4) 7_665 7_666
Si1 Sc02 Si1 81.88(3) 7_665 .
Si1 Sc02 Si1 148.04(2) 7_666 .
Si1 Sc02 Si1 148.04(2) 7_665 1_556
Si1 Sc02 Si1 81.88(3) 7_666 1_556
Si1 Sc02 Si1 88.48(4) . 1_556
Si1 Sc02 Pt03 130.87(2) 7_665 .
Si1 Sc02 Pt03 130.87(2) 7_666 .
Si1 Sc02 Pt03 49.01(2) . .
Si1 Sc02 Pt03 49.01(2) 1_556 .
Si1 Sc02 Pt03 49.209(19) 7_665 7_665
Si1 Sc02 Pt03 49.209(18) 7_666 7_665
Si1 Sc02 Pt03 105.827(19) . 7_665
Si1 Sc02 Pt03 105.828(19) 1_556 7_665
Pt03 Sc02 Pt03 136.088(15) . 7_665
Si1 Sc02 Pt04 108.78(3) 7_665 1_656
Si1 Sc02 Pt04 49.61(2) 7_666 1_656
Si1 Sc02 Pt04 161.27(2) . 1_656
Si1 Sc02 Pt04 89.60(3) 1_556 1_656
Pt03 Sc02 Pt04 118.175(18) . 1_656
Pt03 Sc02 Pt04 92.617(13) 7_665 1_656
Si1 Sc02 Pt04 49.61(2) 7_665 1_655
Si1 Sc02 Pt04 108.78(3) 7_666 1_655
Si1 Sc02 Pt04 89.60(3) . 1_655
Si1 Sc02 Pt04 161.27(2) 1_556 1_655
Pt03 Sc02 Pt04 118.175(18) . 1_655
Pt03 Sc02 Pt04 92.617(13) 7_665 1_655
Pt04 Sc02 Pt04 86.28(3) 1_656 1_655
Si1 Sc02 Pt02 162.03(2) 7_665 1_656
Si1 Sc02 Pt02 89.34(3) 7_666 1_656
Si1 Sc02 Pt02 107.27(3) . 1_656
Si1 Sc02 Pt02 49.45(2) 1_556 1_656
Pt03 Sc02 Pt02 59.745(12) . 1_656
Pt03 Sc02 Pt02 137.182(16) 7_665 1_656
Pt04 Sc02 Pt02 58.437(18) 1_656 1_656
Pt04 Sc02 Pt02 113.88(2) 1_655 1_656
Si1 Sc02 Pt02 89.34(3) 7_665 1_655
Si1 Sc02 Pt02 162.03(2) 7_666 1_655
Si1 Sc02 Pt02 49.45(2) . 1_655
Si1 Sc02 Pt02 107.27(3) 1_556 1_655
Pt03 Sc02 Pt02 59.745(11) . 1_655
Pt03 Sc02 Pt02 137.182(16) 7_665 1_655
Pt04 Sc02 Pt02 113.88(2) 1_656 1_655
Pt04 Sc02 Pt02 58.437(19) 1_655 1_655
Pt02 Sc02 Pt02 85.49(3) 1_656 1_655
Si1 Sc02 Pt04 48.97(2) 7_665 7_665
Si1 Sc02 Pt04 105.21(3) 7_666 7_665
Si1 Sc02 Pt04 47.61(2) . 7_665
Si1 Sc02 Pt04 103.27(3) 1_556 7_665
Pt03 Sc02 Pt04 89.752(17) . 7_665
Pt03 Sc02 Pt04 58.312(14) 7_665 7_665
Pt04 Sc02 Pt04 150.317(16) 1_656 7_665
Pt04 Sc02 Pt04 89.02(3) 1_655 7_665
Pt02 Sc02 Pt04 147.617(19) 1_656 7_665
Pt02 Sc02 Pt04 88.01(3) 1_655 7_665
Si1 Sc02 Pt04 105.21(3) 7_665 7_666
Si1 Sc02 Pt04 48.97(2) 7_666 7_666
Si1 Sc02 Pt04 103.27(3) . 7_666
Si1 Sc02 Pt04 47.61(2) 1_556 7_666
Pt03 Sc02 Pt04 89.752(17) . 7_666
Pt03 Sc02 Pt04 58.312(14) 7_665 7_666
Pt04 Sc02 Pt04 89.02(3) 1_656 7_666
Pt04 Sc02 Pt04 150.317(16) 1_655 7_666
Pt02 Sc02 Pt04 88.01(3) 1_656 7_666
Pt02 Sc02 Pt04 147.617(19) 1_655 7_666
Pt04 Sc02 Pt04 80.74(3) 7_665 7_666
Pt03 Si1 Pt03 113.81(4) 1_554 .
Pt03 Si1 Pt04 123.10(2) 1_554 7_665
Pt03 Si1 Pt04 123.10(2) . 7_665
Pt03 Si1 Pt02 74.18(2) 1_554 1_655
Pt03 Si1 Pt02 74.18(2) . 1_655
Pt04 Si1 Pt02 119.90(4) 7_665 1_655
Pt03 Si1 Pt04 74.25(2) 1_554 .
Pt03 Si1 Pt04 74.25(2) . .
Pt04 Si1 Pt04 119.86(3) 7_665 .
Pt02 Si1 Pt04 120.23(3) 1_655 .
Pt03 Si1 Sc02 67.38(3) 1_554 7_564
Pt03 Si1 Sc02 143.49(4) . 7_564
Pt04 Si1 Sc02 67.46(2) 7_665 7_564
Pt02 Si1 Sc02 134.74(2) 1_655 7_564
Pt04 Si1 Sc02 71.20(2) . 7_564
Pt03 Si1 Sc02 143.49(4) 1_554 7_565
Pt03 Si1 Sc02 67.38(3) . 7_565
Pt04 Si1 Sc02 67.46(2) 7_665 7_565
Pt02 Si1 Sc02 134.74(2) 1_655 7_565
Pt04 Si1 Sc02 71.20(2) . 7_565
Sc02 Si1 Sc02 90.35(4) 7_564 7_565
Pt03 Si1 Sc02 65.98(3) 1_554 1_554
Pt03 Si1 Sc02 139.63(3) . 1_554
Pt04 Si1 Sc02 71.01(2) 7_665 1_554
Pt02 Si1 Sc02 66.98(2) 1_655 1_554
Pt04 Si1 Sc02 135.69(2) . 1_554
Sc02 Si1 Sc02 76.00(3) 7_564 1_554
Sc02 Si1 Sc02 138.39(3) 7_565 1_554
Pt03 Si1 Sc02 139.63(3) 1_554 .
Pt03 Si1 Sc02 65.98(3) . .
Pt04 Si1 Sc02 71.01(2) 7_665 .
Pt02 Si1 Sc02 66.98(2) 1_655 .
Pt04 Si1 Sc02 135.69(2) . .
Sc02 Si1 Sc02 138.39(3) 7_564 .
Sc02 Si1 Sc02 76.00(3) 7_565 .
Sc02 Si1 Sc02 88.48(4) 1_554 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt01 Sc01 2.7906(9) .
Pt01 Sc01 2.7906(9) 5_665
Pt01 Sc01 2.7906(9) 5_664
Pt01 Sc01 2.7906(9) 1_556
Pt01 Pt03 2.8164(7) .
Pt01 Pt03 2.8164(7) 5_665
Pt01 Pt03 2.8164(7) 1_556
Pt01 Pt03 2.8164(7) 5_664
Pt01 Pt02 2.8994(7) 1_656
Pt01 Pt02 2.8994(7) 5_564
Pt01 Pt04 3.0235(5) 1_556
Pt01 Pt04 3.0235(5) 5_664
Pt02 Si1 2.4253(9) 1_455
Pt02 Pt02 2.8289(5) 5_563
Pt02 Sc01 2.8574(8) 5_564
Pt02 Sc01 2.8574(8) 5_563
Pt02 Pt04 2.8575(7) .
Pt02 Pt03 2.8983(8) 1_454
Pt02 Pt03 2.8983(8) 1_455
Pt02 Pt01 2.8994(7) 1_454
Pt02 Sc01 2.9007(9) 1_554
Pt02 Sc01 2.9008(9) .
Pt02 Sc02 2.9377(8) 1_454
Pt02 Sc02 2.9377(8) 1_455
Pt03 Si1 2.3802(9) 1_556
Pt03 Si1 2.3802(9) .
Pt03 Sc01 2.7544(8) .
Pt03 Pt01 2.8164(8) 1_554
Pt03 Sc01 2.8192(6) 5_664
Pt03 Sc02 2.8804(8) .
Pt03 Pt02 2.8983(8) 1_656
Pt03 Pt02 2.8983(8) 1_655
Pt03 Sc02 2.9020(6) 7_565
Pt03 Pt04 2.9178(8) .
Pt03 Pt04 2.9178(8) 1_556
Pt04 Si1 2.4046(9) 7_565
Pt04 Si1 2.4533(11) .
Pt04 Sc01 2.9057(8) 1_554
Pt04 Sc01 2.9057(8) .
Pt04 Sc02 2.9160(9) 1_454
Pt04 Sc02 2.9160(9) 1_455
Pt04 Pt03 2.9178(8) 1_554
Pt04 Pt01 3.0234(5) 1_554
Pt04 Sc02 3.0786(8) 7_564
Pt04 Sc02 3.0786(8) 7_565
Sc01 Pt01 2.7906(9) 1_554
Sc01 Pt03 2.8191(6) 5_664
Sc01 Pt02 2.8574(8) 5_564
Sc01 Pt02 2.8574(8) 5_563
Sc01 Pt02 2.9008(9) 1_556
Sc01 Pt04 2.9057(8) 1_556
Sc01 Sc01 3.0416(11) 5_564
Sc01 Sc02 3.1495(7) 1_455
Sc02 Si1 2.8113(10) 7_665
Sc02 Si1 2.8113(10) 7_666
Sc02 Si1 2.8582(10) .
Sc02 Si1 2.8582(10) 1_556
Sc02 Pt03 2.9020(6) 7_665
Sc02 Pt04 2.9160(9) 1_656
Sc02 Pt04 2.9160(9) 1_655
Sc02 Pt02 2.9377(8) 1_656
Sc02 Pt02 2.9377(8) 1_655
Sc02 Pt04 3.0786(8) 7_665
Sc02 Pt04 3.0786(8) 7_666
Si1 Pt03 2.3802(9) 1_554
Si1 Pt04 2.4046(9) 7_665
Si1 Pt02 2.4254(9) 1_655
Si1 Sc02 2.8113(10) 7_564
Si1 Sc02 2.8113(10) 7_565
Si1 Sc02 2.8582(10) 1_554
