#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/98/1509884.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_1509884 loop_ _publ_author_name 'Messien, P.' 'Baiwir, M.' _publ_section_title ; Structure cristalline des tellurure et seleniure mixtes d'argent et d'or: beta-Ag3 Au Te2 - beta-Ag3 Au Se2 ; _journal_name_full 'Bulletin de la Societe Royal des Sciences de Liege' _journal_page_first 234 _journal_page_last 243 _journal_volume 35 _journal_year 1966 _chemical_formula_sum 'Ag3 Au Se2' _space_group_IT_number 214 _symmetry_space_group_name_Hall 'I 4bd 2c 3' _symmetry_space_group_name_H-M 'I 41 3 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 9.95 _cell_length_b 9.95 _cell_length_c 9.95 _cell_volume 985.075 _citation_journal_id_ASTM BSRSA6 _cod_data_source_file silver3-x_16.cif _cod_data_source_block Ag3Au1Se2 _cod_original_cell_volume 985.0748 _cod_original_formula_sum 'Ag3 Au1 Se2' _cod_database_code 1509884 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/4,x+3/4,z+1/4 -x+1/2,-y,z+1/2 y+1/4,-x+1/4,z+3/4 x,-y,-z+1/2 y+1/4,x+3/4,-z+3/4 -x+1/2,y,-z -y+1/4,-x+1/4,-z+1/4 z,x,y -x+1/4,z+3/4,y+1/4 -z+1/2,-x,y+1/2 x+1/4,-z+1/4,y+3/4 z,-x,-y+1/2 x+1/4,z+3/4,-y+3/4 -z+1/2,x,-y -x+1/4,-z+1/4,-y+1/4 y,z,x y+1/2,-z+1/2,-x z+3/4,y+1/4,-x+1/4 -y,z+1/2,-x+1/2 -z+1/4,-y+1/4,-x+1/4 -y+1/2,-z,x+1/2 z+3/4,-y+3/4,x+1/4 -z+3/4,y+1/4,x+3/4 x+1/2,y+1/2,z+1/2 -y+3/4,x+5/4,z+3/4 -x+1,-y+1/2,z+1 y+3/4,-x+3/4,z+5/4 x+1/2,-y+1/2,-z+1 y+3/4,x+5/4,-z+5/4 -x+1,y+1/2,-z+1/2 -y+3/4,-x+3/4,-z+3/4 z+1/2,x+1/2,y+1/2 -x+3/4,z+5/4,y+3/4 -z+1,-x+1/2,y+1 x+3/4,-z+3/4,y+5/4 z+1/2,-x+1/2,-y+1 x+3/4,z+5/4,-y+5/4 -z+1,x+1/2,-y+1/2 -x+3/4,-z+3/4,-y+3/4 y+1/2,z+1/2,x+1/2 y+1,-z+1,-x+1/2 z+5/4,y+3/4,-x+3/4 -y+1/2,z+1,-x+1 -z+3/4,-y+3/4,-x+3/4 -y+1,-z+1/2,x+1 z+5/4,-y+5/4,x+3/4 -z+5/4,y+3/4,x+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 Au1 Au+1 0.125 0.125 0.125 1 0.0 Se1 Se-2 0.274 0.274 0.274 1 0.0 Ag1 Ag+1 0.366 0 0.25 1 0.0