#------------------------------------------------------------------------------ #$Date: 2015-10-09 23:56:29 +0300 (Fri, 09 Oct 2015) $ #$Revision: 163256 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/57/1535790.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_1535790 loop_ _publ_author_name 'Murashova, E.V.' 'Velikodnyi, Yu.A.' 'Ilyukhin, A.B.' 'Zhuravlev, V.D.' _publ_section_title ; Crystal structures of Sr1.58Ca0.42V2O7 and Sr1.5Cd0.5V2O7 and the features of their isomorphism ; _journal_name_full 'Zhurnal Neorganicheskoi Khimii' _journal_page_first 428 _journal_page_last 431 _journal_volume 38 _journal_year 1993 _chemical_formula_sum 'Cd0.5 O7 Sr1.5 V2' _chemical_name_systematic '(Sr1.5 Cd0.5) (V2 O7)' _space_group_IT_number 92 _symmetry_space_group_name_Hall 'P 4abw 2nw' _symmetry_space_group_name_H-M 'P 41 21 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 7.057 _cell_length_b 7.057 _cell_length_c 25.566 _cell_volume 1273.219 _citation_journal_id_ASTM ZNOKAQ _cod_data_source_file Murashova_ZNOKAQ_1993_1427.cif _cod_data_source_block Cd0.5O7Sr1.5V2 _cod_database_code 1535790 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z+1/4 -x,-y,z+1/2 y+1/2,-x+1/2,z+3/4 x+1/2,-y+1/2,-z+3/4 y,x,-z -x+1/2,y+1/2,-z+1/4 -y,-x,-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 O4 O-2 0.245 0.611 0.0471 1 0.0 Sr1 Sr+2 0.2757 0.2757 0 1 0.0 V1 V+5 0.3584 0.7529 -0.0021 1 0.0 O5 O-2 0.239 0.713 0.1514 1 0.0 O6 O-2 -0.045 0.854 0.0846 1 0.0 Cd1 Cd+2 0.8792 0.8792 0 1 0.0 O7 O-2 -0.066 0.5 0.1183 1 0.0 O1 O-2 0.4 0.603 -0.0502 1 0.0 O3 O-2 0.203 0.927 -0.0226 1 0.0 V2 V+5 0.0917 0.6677 0.1029 1 0.0 Sr2 Sr+2 0.6001 0.6626 0.11983 1 0.0 O2 O-2 0.557 0.852 0.0217 1 0.0