#------------------------------------------------------------------------------ #$Date: 2013-04-29 20:52:39 +0300 (Mon, 29 Apr 2013) $ #$Revision: 82254 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/93/1509338.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_1509338 loop_ _publ_author_name 'Zhukova, T.B.' 'Zaslavskii, A.I.' _publ_section_title ; The structure of Ag Fe Te2 ; _journal_name_full 'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)' _journal_page_first 246 _journal_page_last 249 _journal_volume 5 _journal_year 1964 _chemical_formula_sum 'Ag Fe Te2' _chemical_name_systematic 'Ag Fe Te2' _space_group_IT_number 164 _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 7.6 _cell_length_b 7.6 _cell_length_c 5.69 _cell_volume 284.623 _citation_journal_id_ASTM ZSTKAI _[local]_cod_data_source_file silver1-2_260.cif _[local]_cod_data_source_block Ag1Fe1Te2 _[local]_cod_chemical_formula_sum_orig 'Ag1 Fe1 Te2' _cod_database_code 1509338 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z -x,-x+y,-z x-y,-y,-z -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z x,x-y,z -x+y,y,z 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 Ag1 Ag+1 0 0 0 1 0.0 Fe1 Fe+3 0.5 0 0.5 1 0.0 Te1 Te-2 0.1667 0.8333 0.75 1 0.0 Ag2 Ag+1 0.3333 0.6667 0.25 1 0.0