#------------------------------------------------------------------------------ #$Date: 2013-04-29 21:40:31 +0300 (Mon, 29 Apr 2013) $ #$Revision: 82526 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/95/1509558.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_1509558 loop_ _publ_author_name 'Pinsker, Z.G.' 'Imamov, R.M.' _publ_section_title ; Electron diffraction study of the semiconducting compound Ag Tl Te2 ; _journal_name_full Kristallografiya _journal_page_first 743 _journal_page_last 747 _journal_volume 9 _journal_year 1964 _chemical_formula_sum 'Ag Te2 Tl' _chemical_name_systematic 'Ag Tl Te2' _space_group_IT_number 119 _symmetry_space_group_name_Hall 'I -4 -2' _symmetry_space_group_name_H-M 'I -4 m 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.92 _cell_length_b 3.92 _cell_length_c 15.22 _cell_volume 233.877 _citation_journal_id_ASTM KRISAJ _[local]_cod_data_source_file silver1-2_554.cif _[local]_cod_data_source_block Ag1Te2Tl1 _[local]_cod_chemical_formula_sum_orig 'Ag1 Te2 Tl1' _cod_original_cell_volume 233.8766 _cod_database_code 1509558 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 x+1/2,y+1/2,z+1/2 y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 y+1/2,x+1/2,-z+1/2 x+1/2,-y+1/2,z+1/2 -y+1/2,-x+1/2,-z+1/2 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 0.5 0.25 1 0.0 Tl1 Tl+3 0 0 0 1 0.0 Te1 Te-2 0 0 0.369 1 0.0