#------------------------------------------------------------------------------ #$Date: 2015-07-10 15:15:54 +0300 (Fri, 10 Jul 2015) $ #$Revision: 142279 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/20/1522060.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_1522060 loop_ _publ_author_name 'Turquat, C.' 'Muller, C.' 'Nigrelli, E.' 'Leroux, C.' 'Soubeyroux, J.L.' 'Nihoul, G.' _publ_section_title ; Structural investigation of temperature-induced phase transitions in Hf V2 O7 ; _journal_name_full 'The European Physical Journal Apllied Physics' _journal_page_first 15 _journal_page_last 27 _journal_volume 10 _journal_year 2000 _chemical_formula_sum 'Hf O7 V2' _chemical_name_systematic 'Hf (V2 O7)' _space_group_IT_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.753 _cell_length_b 8.753 _cell_length_c 8.753 _cell_volume 670.611 _citation_journal_id_ASTM EPAPFV _cod_data_source_file Turquat_EPAPFV_2000_1163.cif _cod_data_source_block Hf1O7V2 _cod_original_cell_volume 670.6112 _cod_chemical_formula_sum_orig 'Hf1 O7 V2' _cod_database_code 1522060 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z -x,y+1/2,-z+1/2 z,x,y -z+1/2,-x,y+1/2 z+1/2,-x+1/2,-y -z,x+1/2,-y+1/2 y,z,x y+1/2,-z+1/2,-x -y,z+1/2,-x+1/2 -y+1/2,-z,x+1/2 -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z x,-y-1/2,z-1/2 -z,-x,-y z-1/2,x,-y-1/2 -z-1/2,x-1/2,y z,-x-1/2,y-1/2 -y,-z,-x -y-1/2,z-1/2,x y,-z-1/2,x-1/2 y-1/2,z,-x-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 Hf1 Hf+4 0 0 0 1 0.0 O2 O-2 0.5 0.5 0.5 1 0.0 V1 V+5 0.386 0.386 0.386 1 0.0 O1 O-2 0.438 0.206 0.407 1 0.0