#------------------------------------------------------------------------------ #$Date: 2015-09-07 23:40:09 +0300 (Mon, 07 Sep 2015) $ #$Revision: 155137 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/01/1530153.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_1530153 loop_ _publ_author_name 'Khitrova, V.I.' 'Klechkovskaya, V.V.' 'Pinsker, Z.G.' _publ_section_title ; Structures with fcc cells in thin films of oxides of Ta and Nb ; _journal_name_full Kristallografiya _journal_page_first 1254 _journal_page_last 1258 _journal_volume 24 _journal_year 1979 _chemical_formula_sum 'O2.2 Ta2' _chemical_name_systematic 'Ta2 O2.2' _space_group_IT_number 61 _symmetry_space_group_name_Hall '-P 2ac 2ab' _symmetry_space_group_name_H-M 'P b c a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.1 _cell_length_b 5.1 _cell_length_c 5.1 _cell_volume 132.651 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Khitrova_KRISAJ_1979_873.cif _cod_data_source_block O2.2Ta2 _cod_database_code 1530153 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 -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z 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 O3 O 0 0.25 0.25 0.15 0.0 O1 O 0 0 0.5 0.5 0.0 Ta1 Ta 0 0 0 1 0.0 O2 O 0.25 0.25 0 0.15 0.0