#------------------------------------------------------------------------------
#$Date: 2023-03-27 09:00:38 +0200 (Mon 27 de Mar de 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/71/9017150.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9017150
loop_
_publ_author_name
'Szymanski, J. T.'
_publ_section_title
;
 The crystal structure of platarsite, Pt(As,S)2, and a comparison with
 sperrylite, PtAs2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              117
_journal_page_last               123
_journal_volume                  17
_journal_year                    1979
_chemical_compound_source        'Onverwacht mine, Transvaal'
_chemical_formula_sum
'As1.02 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S0.98'
_chemical_name_mineral           Platarsite
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.788
_cell_length_b                   5.788
_cell_length_c                   5.788
_cell_volume                     193.903
_database_code_amcsd             0005169
_exptl_crystal_density_diffrn    8.524
_cod_data_source_file            inputs/fixed/downloads/05/05967.cif
_cod_data_source_block           05967
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Pt.35 Rh.31 Ru.29 Ir.05 Os.01 (As1.02 S.98)'
_cod_database_code               9017150
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+z,x,1/2-y
z,1/2-x,1/2+y
1/2-z,1/2+x,y
-z,-x,-y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
x,1/2-y,1/2+z
1/2-x,1/2+y,z
1/2+x,y,1/2-z
-x,-y,-z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2-y,1/2+z,x
1/2+y,z,1/2-x
y,1/2-z,1/2+x
-y,-z,-x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pt 0.00662 0.00662 0.00662 0.00017 0.00000 0.00017
Rh 0.00662 0.00662 0.00662 0.00017 0.00000 0.00017
Ru 0.00662 0.00662 0.00662 0.00017 0.00000 0.00017
Ir 0.00662 0.00662 0.00662 0.00017 0.00000 0.00017
Os 0.00662 0.00662 0.00662 0.00017 0.00000 0.00017
As 0.00984 0.00984 0.00984 0.00000 0.00000 0.00000
S 0.00984 0.00984 0.00984 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pt 0.00000 0.00000 0.00000 0.35000
Rh 0.00000 0.00000 0.00000 0.31000
Ru 0.00000 0.00000 0.00000 0.29000
Ir 0.00000 0.00000 0.00000 0.05000
Os 0.00000 0.00000 0.00000 0.01000
As 0.38580 0.38580 0.38580 0.51000
S 0.38580 0.38580 0.38580 0.49000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005169
