#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/93/1509341.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_1509341 loop_ _publ_author_name 'Kuz'micheva, G.M.' 'Panyutin, V.L.' 'Marenkin, S.F.' 'Rybakov, V.B.' 'Shevyrdyaeva, G.S.' 'Shcherbakov, S.I.' 'Chizhikov, V.I.' _publ_section_title ; Preparation and structure of Ag Ga1-x Inx Se2 single crystals ; _journal_name_full 'Neorganicheskie Materialy' _journal_page_first 1193 _journal_page_last 1199 _journal_volume 39 _journal_year 2003 _chemical_formula_sum 'Ag Ga0.82 In0.18 Se2' _chemical_name_systematic 'Ag (Ga0.82 In0.18) Se2' _space_group_IT_number 122 _symmetry_space_group_name_Hall 'I -4 2bw' _symmetry_space_group_name_H-M 'I -4 2 d' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.9889 _cell_length_b 5.9889 _cell_length_c 11.0328 _cell_volume 395.713 _citation_journal_id_ASTM NMATEI _cod_data_source_file silver1-2_263.cif _cod_data_source_block Ag1Ga0.82In0.18Se2 _cod_original_cell_volume 395.7126 _cod_original_formula_sum 'Ag1 Ga0.82 In0.18 Se2' _cod_database_code 1509341 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 _atom_site_U_iso_or_equiv Ag1 Ag+1 0 0 0 1 0.0 Se1 Se-2 0.7271 0.75 0.125 1 0.0 Ga1 Ga+3 0 0 0.5 0.82 0.0 In1 In+3 0 0 0.5 0.18 0.0