#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/08/1510835.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_1510835 loop_ _publ_author_name 'Moskowitz, D.' 'Glaser, F.W.' 'Post, B.' _publ_section_title ; Transition metal diborides ; _journal_name_full 'Acta Metallurgica' _journal_page_first 20 _journal_page_last 25 _journal_paper_doi 10.1016/0001-6160(54)90090-5 _journal_volume 2 _journal_year 1954 _chemical_formula_sum 'B2 Ta0.5 Ti0.5' _chemical_name_systematic '(Ta0.5 Ti0.5) B2' _space_group_IT_number 191 _symmetry_space_group_name_Hall '-P 6 2' _symmetry_space_group_name_H-M 'P 6/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 3.05 _cell_length_b 3.05 _cell_length_c 3.246 _cell_volume 26.150 _citation_journal_id_ASTM AMETAR _cod_data_source_file boron_344.cif _cod_data_source_block B2Ta0.5Ti0.5 _cod_original_cell_volume 26.15043 _cod_database_code 1510835 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z -y,x-y,z -x,-y,z -x+y,-x,z y,-x+y,z -y,-x,-z x-y,-y,-z x,x-y,-z y,x,-z -x+y,y,-z -x,-x+y,-z -x,-y,-z -x+y,-x,-z y,-x+y,-z x,y,-z x-y,x,-z -y,x-y,-z y,x,z -x+y,y,z -x,-x+y,z -y,-x,z x-y,-y,z x,x-y,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 B1 B 0.3333 0.6667 0.5 1 0.0 Ti2 Ti 0 0 0 0.5 0.0 Ta2 Ta 0 0 0 0.5 0.0