#------------------------------------------------------------------------------ #$Date: 2016-01-09 14:29:00 +0200 (Sat, 09 Jan 2016) $ #$Revision: 174070 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/20/1542096.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_1542096 loop_ _publ_author_name 'Tucker, C.W.' 'Seybolt, A.U.' 'Sumsion, H.T.' _publ_section_title ; The location of oxygen atoms in vanadium-oxygen alloys by means of neutron diffraction ; _journal_name_full 'Acta Metallurgica' _journal_page_first 390 _journal_page_last 393 _journal_volume 1 _journal_year 1953 _chemical_formula_sum 'O0.532 V' _chemical_name_systematic 'V O.532' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 2.94 _cell_length_b 2.94 _cell_length_c 3.5 _cell_volume 30.253 _citation_journal_id_ASTM AMETAR _cod_data_source_file Tucker_AMETAR_1953_1716.cif _cod_data_source_block O0.532V1 _cod_original_cell_volume 30.2526 _cod_chemical_formula_sum_orig 'O0.532 V1' _cod_database_code 1542096 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+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 V1 V 0 0 0 1 0.0 O1 O 0 0 0.5 0.532 0.0