#------------------------------------------------------------------------------ #$Date: 2013-05-01 01:07:42 +0300 (Wed, 01 May 2013) $ #$Revision: 83036 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/99/1509960.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_1509960 loop_ _publ_author_name 'Cros, B.' 'Laqibi, M.' 'Peytavin, S.' 'Ribes, M.' _publ_section_title ; Nouveaux conducteurs superioniques a l'argent Ag7 XS 5Z (X= Si, Ge, Sn, Z= Cl, Br, I). etude structurale ; _journal_name_full 'Revue de Chimie Minerale' _journal_page_first 796 _journal_page_last 809 _journal_volume 23 _journal_year 1986 _chemical_formula_sum 'Ag7 Ge I S5' _chemical_name_systematic 'Ag7 (Ge S4) S I' _space_group_IT_number 216 _symmetry_space_group_name_Hall 'F -4 2 3' _symmetry_space_group_name_H-M 'F -4 3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.7116 _cell_length_b 10.7116 _cell_length_c 10.7116 _cell_volume 1229.032 _citation_journal_id_ASTM RVCMA8 _[local]_cod_data_source_file silver3-x_257.cif _[local]_cod_data_source_block Ag7Ge1I1S5 _[local]_cod_chemical_formula_sum_orig 'Ag7 Ge1 I1 S5' _cod_database_code 1509960 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z x,-y,-z -y,-x,z -x,y,-z y,x,z z,x,y x,-z,-y -z,-x,y -x,z,-y z,-x,-y -x,-z,y -z,x,-y x,z,y y,z,x y,-z,-x -z,-y,x -y,z,-x z,y,x -y,-z,x -z,y,-x z,-y,-x x,y+1/2,z+1/2 y,-x+1/2,-z+1/2 -x,-y+1/2,z+1/2 -y,x+1/2,-z+1/2 x,-y+1/2,-z+1/2 -y,-x+1/2,z+1/2 -x,y+1/2,-z+1/2 y,x+1/2,z+1/2 z,x+1/2,y+1/2 x,-z+1/2,-y+1/2 -z,-x+1/2,y+1/2 -x,z+1/2,-y+1/2 z,-x+1/2,-y+1/2 -x,-z+1/2,y+1/2 -z,x+1/2,-y+1/2 x,z+1/2,y+1/2 y,z+1/2,x+1/2 y,-z+1/2,-x+1/2 -z,-y+1/2,x+1/2 -y,z+1/2,-x+1/2 z,y+1/2,x+1/2 -y,-z+1/2,x+1/2 -z,y+1/2,-x+1/2 z,-y+1/2,-x+1/2 x+1/2,y,z+1/2 y+1/2,-x,-z+1/2 -x+1/2,-y,z+1/2 -y+1/2,x,-z+1/2 x+1/2,-y,-z+1/2 -y+1/2,-x,z+1/2 -x+1/2,y,-z+1/2 y+1/2,x,z+1/2 z+1/2,x,y+1/2 x+1/2,-z,-y+1/2 -z+1/2,-x,y+1/2 -x+1/2,z,-y+1/2 z+1/2,-x,-y+1/2 -x+1/2,-z,y+1/2 -z+1/2,x,-y+1/2 x+1/2,z,y+1/2 y+1/2,z,x+1/2 y+1/2,-z,-x+1/2 -z+1/2,-y,x+1/2 -y+1/2,z,-x+1/2 z+1/2,y,x+1/2 -y+1/2,-z,x+1/2 -z+1/2,y,-x+1/2 z+1/2,-y,-x+1/2 x+1/2,y+1/2,z y+1/2,-x+1/2,-z -x+1/2,-y+1/2,z -y+1/2,x+1/2,-z x+1/2,-y+1/2,-z -y+1/2,-x+1/2,z -x+1/2,y+1/2,-z y+1/2,x+1/2,z z+1/2,x+1/2,y x+1/2,-z+1/2,-y -z+1/2,-x+1/2,y -x+1/2,z+1/2,-y z+1/2,-x+1/2,-y -x+1/2,-z+1/2,y -z+1/2,x+1/2,-y x+1/2,z+1/2,y y+1/2,z+1/2,x y+1/2,-z+1/2,-x -z+1/2,-y+1/2,x -y+1/2,z+1/2,-x z+1/2,y+1/2,x -y+1/2,-z+1/2,x -z+1/2,y+1/2,-x z+1/2,-y+1/2,-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 I1 I-1 0 0 0 1 0.0 S1 S-2 0.25 0.25 0.25 1 0.0 Ag2 Ag+1 0.196 0.196 0.0124 0.05 0.0 Ag3 Ag+1 0.166 0.166 0.0096 0.194 0.0 Ag1 Ag+1 0.2368 0.2368 0.0263 0.3396 0.0 S2 S-2 0.6195 0.6195 0.6195 1 0.0 Ge1 Ge+4 0.5 0.5 0.5 1 0.0