#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/15/1511517.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_1511517 loop_ _publ_author_name 'Kiessling, R.' _publ_section_title ; The borides of tantalum ; _journal_name_full 'Acta Chemica Scandinavica (1-27,1973-42,1988)' _journal_page_first 603 _journal_page_last 615 _journal_volume 3 _journal_year 1949 _chemical_formula_sum 'B4 Ta3' _chemical_name_systematic 'Ta3 B4' _space_group_IT_number 71 _symmetry_space_group_name_Hall '-I 2 2' _symmetry_space_group_name_H-M 'I m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.29 _cell_length_b 14 _cell_length_c 3.13 _cell_volume 144.168 _citation_journal_id_ASTM ACSAA4 _[local]_cod_data_source_file boron4-x_147.cif _[local]_cod_data_source_block B4Ta3 _cod_original_cell_volume 144.1678 _cod_database_code 1511517 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,-y,-z -x,y,-z -x,-y,-z x,y,-z -x,y,z x,-y,z x+1/2,y+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-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 Ta1 Ta+4 0.5 0.5 0 1 0.0 B1 B-3 0 0.375 0 1 0.0 Ta2 Ta+4 0 0.18 0 1 0.0 B2 B-3 0 0.444 0.5 1 0.0 _journal_paper_doi 10.3891/acta.chem.scand.03-0603