#------------------------------------------------------------------------------ #$Date: 2013-05-01 17:07:23 +0300 (Wed, 01 May 2013) $ #$Revision: 83658 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/04/1510461.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_1510461 loop_ _publ_author_name 'Isonaga, T.' 'Ishikawa, K.' 'Wakita, S.' 'Suzuki, Y.' _publ_section_title ; Structure and electrical properties of Au2 S ; _journal_name_full 'Solid State Ionics' _journal_page_first 60 _journal_page_last 66 _journal_volume 79 _journal_year 1995 _chemical_formula_sum 'Au2 S' _chemical_name_systematic 'Au2 S' _space_group_IT_number 224 _symmetry_space_group_name_Hall 'P 4n 2 3 -1n' _symmetry_space_group_name_H-M 'P n -3 m :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.02057 _cell_length_b 5.02057 _cell_length_c 5.02057 _cell_volume 126.549 _citation_journal_id_ASTM SSIOD3 _[local]_cod_data_source_file gold_556.cif _[local]_cod_data_source_block Au2S1 _[local]_cod_cif_authors_sg_Hall '-P 4bc 2bc 3 (x+1/4,y+1/4,z+1/4)' _[local]_cod_chemical_formula_sum_orig 'Au2 S1' _cod_original_cell_volume 126.5491 _cod_database_code 1510461 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z+1/2 -x,-y,z y+1/2,-x+1/2,z+1/2 x,-y,-z y+1/2,x+1/2,-z+1/2 -x,y,-z -y+1/2,-x+1/2,-z+1/2 z,x,y -x+1/2,z+1/2,y+1/2 -z,-x,y x+1/2,-z+1/2,y+1/2 z,-x,-y x+1/2,z+1/2,-y+1/2 -z,x,-y -x+1/2,-z+1/2,-y+1/2 y,z,x y,-z,-x z+1/2,y+1/2,-x+1/2 -y,z,-x -z+1/2,-y+1/2,-x+1/2 -y,-z,x z+1/2,-y+1/2,x+1/2 -z+1/2,y+1/2,x+1/2 -x+1/2,-y+1/2,-z+1/2 y,-x,-z x+1/2,y+1/2,-z+1/2 -y,x,-z -x+1/2,y+1/2,z+1/2 -y,-x,z x+1/2,-y+1/2,z+1/2 y,x,z -z+1/2,-x+1/2,-y+1/2 x,-z,-y z+1/2,x+1/2,-y+1/2 -x,z,-y -z+1/2,x+1/2,y+1/2 -x,-z,y z+1/2,-x+1/2,y+1/2 x,z,y -y+1/2,-z+1/2,-x+1/2 -y+1/2,z+1/2,x+1/2 -z,-y,x y+1/2,-z+1/2,x+1/2 z,y,x y+1/2,z+1/2,-x+1/2 -z,y,-x z,-y,-x loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv S1 S-2 0 0 0 1 0.0 Au1 Au+1 0.25 0.25 0.25 1 0.0