#------------------------------------------------------------------------------ #$Date: 2013-04-29 23:49:11 +0300 (Mon, 29 Apr 2013) $ #$Revision: 82699 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/02/78/4027814.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_4027814 loop_ _publ_author_name 'Lii, K.-H.' 'Wang, S.-L.' 'Tsai, P.-P.' 'Kang, H.-Y.' _publ_section_title ; Hydrothermal synthesis. Crystal structure and ionic conductivity ofAg2VO2PO4 : a new layered phosphate of vanadium(V) ; _journal_name_full ; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) ; _journal_page_first 1525 _journal_page_last 1528 _journal_volume 1993 _journal_year 1993 _chemical_formula_sum 'Ag2 O6 P V' _chemical_name_systematic 'Ag2 (V O2) (P O4)' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 90.38 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 12.431 _cell_length_b 6.298 _cell_length_c 6.3 _cell_volume 493.219 _citation_journal_id_ASTM JCDTBI _[local]_cod_data_source_file silver2-3_165.cif _[local]_cod_data_source_block Ag2O6P1V1 _[local]_cod_chemical_formula_sum_orig 'Ag2 O6 P1 V1' _cod_original_cell_volume 493.2189 _cod_database_code 4027814 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z x+1/2,y+1/2,z -x+1/2,y+1/2,-z -x+1/2,-y+1/2,-z x+1/2,-y+1/2,z 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 P1 P+5 0.8476 0 0.8517 1 0.0 O4 O-2 0.5964 0.5 0.3645 1 0.0 V1 V+5 0.61707 0 0.0876 1 0.0 Ag1 Ag+1 0.88065 0.75947 0.38036 1 0.0 O1 O-2 0.4958 0 0.2069 1 0.0 O3 O-2 0.7238 0 0.8228 1 0.0 O5 O-2 0.7014 0 0.2847 1 0.0 O2 O-2 0.8816 0.8032 0.9811 1 0.0