#------------------------------------------------------------------------------ #$Date: 2013-04-28 20:31:03 +0300 (Sun, 28 Apr 2013) $ #$Revision: 82151 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/90/1509049.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_1509049 loop_ _publ_author_name 'Dolle, M.' 'Galy, J.' 'Rozier, P.' _publ_section_title ; Ionic diffusion mastering using crystal-chemistry parameters: tau-Cu1/2 Ag1/2 V2 O5 structure determination and comparison with refined delta-Ag(x) V2 O5 and epsilon-Cu(x) V2 O5 ones ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 1481 _journal_page_last 1491 _journal_volume 182 _journal_year 2009 _chemical_formula_sum 'Ag0.84 O5 V2' _chemical_name_systematic 'Silver vanadium oxide (0.84/2/5) - delta' _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 90.537 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.77 _cell_length_b 3.6748 _cell_length_c 8.7394 _cell_volume 377.983 _citation_journal_id_ASTM JSSCBI _[local]_cod_data_source_file silver0-1_180.cif _[local]_cod_data_source_block Ag0.84O5V2 _cod_original_cell_volume 377.9834 _cod_database_code 1509049 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 O4 O-2 0.2384 0.5 0.1147 1 Ag2 Ag+1 0.578 0.5 0.5336 0.2 O1 O-2 -0.0781 0.5 0.1021 1 V1 V+4 0.0658 0.5 0.165 1 O3 O-2 0.1009 0 0.1388 1 V2 V+4 0.269 0 0.1615 1 Ag1 Ag+1 0.6222 0.5 0.5227 0.64 O5 O-2 0.2878 0 0.3476 1 O2 O-2 0.0549 0.5 0.3524 1