#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007438.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_9007438 loop_ _publ_author_name 'Jellinek F' _publ_section_title ; The structures of the chromium sulphides ; _journal_name_full 'Acta Crystallographica' _journal_page_first 620 _journal_page_last 628 _journal_volume 10 _journal_year 1957 _chemical_formula_sum 'Cr0.875 S' _[local]_cod_chemical_formula_sum_orig 'Cr.875 S' _chemical_name_mineral Cr7S8 _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 3.464 _cell_length_b 3.464 _cell_length_c 5.763 _cell_volume 59.887 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,-x,z y,-x+y,-z -x,-x+y,-z -x+y,-x,z -x+y,y,z -x,-y,-z y,x,-z -y,x-y,z x,x-y,z x-y,x,-z x-y,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr1 0.00000 0.00000 0.00000 1.00000 Cr2 0.00000 0.00000 0.50000 0.75000 S 0.33333 0.66667 0.25000 1.00000 _cod_database_code 9007438