#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/95/1509505.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_1509505 loop_ _publ_author_name 'Ouvrard, G.' 'Colombet, P.' 'Brec, R.' 'Lee, S.' _publ_section_title ; A new chain compound of vanadium (III): Ag1/2 V1/2 P S3 structure, metal ordering, and magnetic properties ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 917 _journal_page_last 928 _journal_volume 21 _journal_year 1986 _chemical_formula_sum 'Ag P2 S6 V' _chemical_name_systematic 'Ag V (P S3)2' _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2yc' _symmetry_space_group_name_H-M 'P 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 106.62 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.755 _cell_length_b 10.684 _cell_length_c 5.921 _cell_volume 409.469 _citation_journal_id_ASTM MRBUAC _[local]_cod_data_source_file silver1-2_489.cif _[local]_cod_data_source_block Ag1P2S6V1 _[local]_cod_chemical_formula_sum_orig 'Ag1 P2 S6 V1' _cod_original_cell_volume 409.4688 _cod_database_code 1509505 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-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 V1 V 0 0.0801 0.25 1 0.0 S1 S 0.2416 0.7719 0.9895 1 0.0 S3 S 0.2848 0.6034 0.4844 1 0.0 P1 P 0.1698 0.7534 0.3009 1 0.0 S2 S 0.2302 0.0797 0.9915 1 0.0 Ag1 Ag 0 0.4344 0.25 1 0.0 _journal_paper_doi 10.1016/0025-5408(86)90129-7