#------------------------------------------------------------------------------ #$Date: 2013-05-02 23:46:44 +0300 (Thu, 02 May 2013) $ #$Revision: 84915 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/14/1511475.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_1511475 loop_ _publ_author_name 'Sutula, R.A.' 'Wang, F.E.' 'Mitchell, M.A.' _publ_section_title ; The Crystal Structure Study of Li5 B4 ; _journal_name_full 'U.S. Ntis, Ad Rep. 1977 (Ad-Ao44545)' _journal_page_first 1 _journal_page_last 35 _journal_volume 1977 _journal_year 1977 _chemical_formula_sum 'B4 Li5' _chemical_name_systematic 'Li5 B4' _space_group_IT_number 197 _symmetry_space_group_name_Hall 'I 2 2 3' _symmetry_space_group_name_H-M 'I 2 3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 4.93 _cell_length_b 4.93 _cell_length_c 4.93 _cell_volume 119.823 _citation_journal_id_ASTM XADRCH _[local]_cod_data_source_file boron4-x_104.cif _[local]_cod_data_source_block B4Li5 _cod_original_cell_volume 119.8231 _cod_database_code 1511475 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,-y,-z -x,y,-z z,x,y -z,-x,y z,-x,-y -z,x,-y y,z,x y,-z,-x -y,z,-x -y,-z,x 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 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 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 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 B2 B 0.925 0.925 0.925 0.125 0.0 Li1 Li 0.175 0.175 0.175 0.625 0.0 B1 B 0.175 0.175 0.175 0.375 0.0