#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/93/1509343.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_1509343 loop_ _publ_author_name 'Pobedimskaya, E.A.' 'Belov, N.V.' 'Alimova, L.L.' 'Badikov, V.V.' _publ_section_title ; The crystal structure of the Ag-germanogallium sulfide and Ge S2 ; _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_page_first 611 _journal_page_last 614 _journal_volume 257 _journal_year 1981 _chemical_formula_sum 'Ag Ga Ge S4' _chemical_name_systematic 'Ag Ga Ge S4' _space_group_IT_number 43 _symmetry_space_group_name_Hall 'F 2 -2d' _symmetry_space_group_name_H-M 'F d d 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 12 _cell_length_a 12.028 _cell_length_b 22.918 _cell_length_c 6.874 _cell_volume 1894.871 _citation_journal_id_ASTM DANKAS _cod_data_source_file silver1-2_265.cif _cod_data_source_block Ag1Ga1Ge1S4 _cod_original_formula_sum 'Ag1 Ga1 Ge1 S4' _cod_database_code 1509343 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x+1/4,y+1/4,z+1/4 x+3/4,-y+3/4,z+1/4 x,y+1/2,z+1/2 -x,-y+1/2,z+1/2 -x+1/4,y+3/4,z+3/4 x+3/4,-y+5/4,z+3/4 x+1/2,y,z+1/2 -x+1/2,-y,z+1/2 -x+3/4,y+1/4,z+3/4 x+5/4,-y+3/4,z+3/4 x+1/2,y+1/2,z -x+1/2,-y+1/2,z -x+3/4,y+3/4,z+1/4 x+5/4,-y+5/4,z+1/4 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 Ge1 Ge+4 0 0 0 0.5 0.0 S3 S-2 0.19037 0.11881 0.573 1 0.0 Ag1 Ag+1 0.08309 0.20925 0.7307 0.75 0.0 S2 S-2 0.15253 0.02253 0.175 1 0.0 Ga1 Ga+3 0 0 0 0.5 0.0 Ge2 Ge+4 0.12058 0.11454 0.2762 0.5 0.0 Ga2 Ga+3 0.12058 0.11454 0.2762 0.5 0.0 S1 S-2 0.2015 0.1747 0.0564 1 0.0