#------------------------------------------------------------------------------ #$Date: 2013-05-01 00:43:07 +0300 (Wed, 01 May 2013) $ #$Revision: 82869 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/98/1509825.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_1509825 loop_ _publ_author_name 'Rosenstingl, J.' _publ_section_title ; Synthese und Kristallstrukturbestimmung von Ag3 As S4 (ein Vertreter des Strukturtyps Enargit, Cu3 As S4) ; _journal_name_full ; Oesterreische Akademie der Wissenschaften, Mathematich-Naturwissenschaftliche Klasse, Sitzungsberichte ; _journal_page_first 27 _journal_page_last 30 _journal_volume 130 _journal_year 1993 _chemical_formula_sum 'Ag3 As S4' _chemical_name_systematic 'Ag3 As S4' _space_group_IT_number 31 _symmetry_space_group_name_Hall 'P 2ac -2' _symmetry_space_group_name_H-M 'P m n 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.801 _cell_length_b 6.973 _cell_length_c 6.567 _cell_volume 357.221 _citation_journal_id_ASTM OAWCAY _[local]_cod_data_source_file silver3-x_10.cif _[local]_cod_data_source_block Ag3As1S4 _[local]_cod_chemical_formula_sum_orig 'Ag3 As1 S4' _cod_database_code 1509825 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 -x,y,z x+1/2,-y,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 As1 As+5 0 0.8096 0 1 0.0 S3 S-2 0.2724 0.3451 0.6038 1 0.0 S2 S-2 0 0.0946 0.1348 1 0.0 Ag2 Ag+1 0.2297 0.3023 0.98 1 0.0 S1 S-2 0 0.8121 0.6708 1 0.0 Ag1 Ag+1 0 0.1487 0.5289 1 0.0