#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/15/1511515.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_1511515 loop_ _publ_author_name 'Brosset, C.' 'Magnusson, B.' _publ_section_title ; The Silicon - Boron System ; _journal_name_full 'Nature (London)' _journal_page_first 54 _journal_page_last 55 _journal_volume 187 _journal_year 1960 _chemical_formula_sum 'B4 Si' _chemical_name_systematic 'Si B4' _space_group_IT_number 166 _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 9 _cell_length_a 6.319 _cell_length_b 6.319 _cell_length_c 12.713 _cell_volume 439.618 _citation_journal_id_ASTM NATUAS _[local]_cod_data_source_file boron4-x_145.cif _[local]_cod_data_source_block B4Si1 _[local]_cod_chemical_formula_sum_orig 'B4 Si1' _cod_original_cell_volume 439.6179 _cod_database_code 1511515 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z -x,-x+y,-z x-y,-y,-z -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z x,x-y,z -x+y,y,z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 y+2/3,x+1/3,-z+1/3 -x+2/3,-x+y+1/3,-z+1/3 x-y+2/3,-y+1/3,-z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 -y+2/3,-x+1/3,z+1/3 x+2/3,x-y+1/3,z+1/3 -x+y+2/3,y+1/3,z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 y+1/3,x+2/3,-z+2/3 -x+1/3,-x+y+2/3,-z+2/3 x-y+1/3,-y+2/3,-z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 -y+1/3,-x+2/3,z+2/3 x+1/3,x-y+2/3,z+2/3 -x+y+1/3,y+2/3,z+2/3 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 Si1 Si 0 0 0.19 1 0.0 B1 B 0.11 0.89 0.87 0.833 0.0 B2 B 0.1667 0.8333 0.02 1 0.0 B3 B 0 0 0 1 0.0 Si2 Si 0.11 0.89 0.87 0.167 0.0 _journal_paper_doi 10.1038/187054a0