#------------------------------------------------------------------------------ #$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004146.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_9004146 _space_group_IT_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _[local]_cod_cif_authors_sg_H-M 'P a 3' 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_formula_sum 'Pt.35 Rh.31 Ru.29 Ir.05 Os.01 (As2 S2)' _chemical_name_mineral Platarsite _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 loop_ _symmetry_equiv_pos_as_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_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 1.00000 S 0.38580 0.38580 0.38580 1.00000 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