#------------------------------------------------------------------------------ #$Date: 2013-04-06 11:35:06 +0300 (Sat, 06 Apr 2013) $ #$Revision: 79932 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/90/1509083.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_1509083 loop_ _publ_author_name 'Sakr, G.B.' 'Moustafa, A.M.' 'El-Sayad, E.A.' _publ_section_title ; Crystal structure refinement of Cux Ag1-x In Te2 bulk material determined from X-ray powder diffraction data using the Rietveld method ; _journal_name_full 'Crystal Research and Technology' _journal_page_first 266 _journal_page_last 273 _journal_volume 39 _journal_year 2004 _chemical_formula_sum 'Ag0.257 Cu0.766 In1.008 Te1.969' _chemical_name_systematic ; Copper(I) silver indium telluride (0.77/0.26/1.01/1.97) ; _space_group_IT_number 122 _symmetry_space_group_name_Hall 'I -4 2bw' _symmetry_space_group_name_H-M 'I -4 2 d' _atom_site_B_iso_or_equiv 0 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.24068 _cell_length_b 6.24068 _cell_length_c 12.50461 _cell_volume 487.006 _citation_journal_id_ASTM CRTEDF _[local]_cod_data_source_file silver0-1_45.cif _[local]_cod_data_source_block Ag0.257Cu0.766In1.008Te1.969 _cod_original_cell_volume 487.0057 _cod_database_code 1509083 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z x,-y+1/2,-z+1/4 -y+1/2,-x,z+3/4 -x,y+1/2,-z+1/4 y+1/2,x,z+3/4 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,-z+3/4 -y+1,-x+1/2,z+5/4 -x+1/2,y+1,-z+3/4 y+1,x+1/2,z+5/4 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In1 In+3 0 0 0.5 1.008 Cu1 Cu+1 0 0 0 0.766 Te1 Te-2 0.251 0.25 0.125 0.9845 Ag1 Ag+1 0 0 0 0.257