#------------------------------------------------------------------------------ #$Date: 2016-01-09 14:04:31 +0200 (Sat, 09 Jan 2016) $ #$Revision: 173925 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/20/1542019.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_1542019 loop_ _publ_author_name 'Ozerov, R.P.' 'Zhdanov, G.S.' 'Gol'der, G.A.' _publ_section_title ; X-ray diffraction study of sodium and potassium oxygen vanadium bronzes Me.33 V2 O5 ; _journal_name_full Kristallografiya _journal_page_first 217 _journal_page_last 224 _journal_volume 2 _journal_year 1957 _chemical_formula_sum 'K0.333333 O4.66667 V2' _chemical_name_systematic 'K0.33 (V2 O5)' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-A 2y' _symmetry_space_group_name_H-M 'A 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 109.2 _cell_angle_gamma 90 _cell_formula_units_Z 6 _cell_length_a 10.039 _cell_length_b 3.605 _cell_length_c 15.335 _cell_volume 524.113 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Ozerov_KRISAJ_1957_34.cif _cod_data_source_block K0.333333O4.66667V2 _cod_cif_authors_sg_Hall '-C 2y (z,y,-x)' _cod_original_cell_volume 524.1126 _cod_database_code 1542019 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z x,y+1/2,z+1/2 -x,y+1/2,-z+1/2 -x,-y+1/2,-z+1/2 x,-y+1/2,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 O7 O-2 0.464 0 0.396 1 0.0 O4 O-2 0.224 0 0.265 1 0.0 K1 K+1 0.414 0 0.995 0.5 0.0 O5 O-2 0.269 0 0.107 1 0.0 V3 V+4 0.411 0 0.289 1 0.0 O6 O-2 0.421 0 0.754 1 0.0 V1 V+4 0.103 0 0.337 1 0.0 O3 O-2 0.222 0 0.438 1 0.0 O2 O-2 0.079 0 0.637 1 0.0 O1 O-2 0.049 0 0.813 1 0.0 V2 V+4 0.119 0 0.117 1 0.0