#------------------------------------------------------------------------------ #$Date: 2015-07-12 21:50:58 +0300 (Sun, 12 Jul 2015) $ #$Revision: 148245 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/69/1526958.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_1526958 loop_ _publ_author_name 'Wu, C.-D.' 'Lin, X.' 'Yang, W.-B.' 'Lu, C.-Z.' 'Zhuang, H.-H.' _publ_section_title ; A novel Mo-doped compound with graphite-like structure: (H3 O)2 V3 O8 ; _journal_name_full 'Jiegon Huaxue' _journal_page_first 462 _journal_page_last 465 _journal_volume 20 _journal_year 2001 _chemical_formula_sum 'H6 O10 V3' _chemical_name_systematic '(H3 O)2 V3 O8' _space_group_IT_number 100 _symmetry_space_group_name_Hall 'P 4 -2ab' _symmetry_space_group_name_H-M 'P 4 b m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.904 _cell_length_b 8.904 _cell_length_c 5.573 _cell_volume 441.834 _citation_journal_id_ASTM JHUADF _cod_data_source_file Wu_JHUADF_2001_1798.cif _cod_data_source_block H6O10V3 _cod_original_cell_volume 441.8342 _cod_database_code 1526958 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z -x+1/2,y+1/2,z -y+1/2,-x+1/2,z x+1/2,-y+1/2,z y+1/2,x+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 V2 V+4 0 0 0.2559 1 0.0 O5 O-2 0.6694 0.1694 0.7914 1 0.0 O4 O-2 0.5 0 0.1484 1 0.0 V1 V+5 0.3665 0.1335 0.259 1 0.0 O3 O-2 0.3696 0.1304 0.5605 1 0.0 O2 O-2 0.1929 0.0848 0.1543 1 0.0 O1 O-2 0 0 0.5451 1 0.0