#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/20/1542017.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_1542017 loop_ _publ_author_name 'Osugi, J.' 'Namikawa, R.' 'Tanaka, Y.' _publ_section_title ; Chemical reaction at high temperature and high pressure III. Reaction of silicon and phosphorus at high temperature and high pressure ; _journal_name_full 'Reviews of Physical Chemistry of Japan' _journal_page_first 35 _journal_page_last 43 _journal_volume 36 _journal_year 1966 _chemical_formula_sum 'P2 Si' _chemical_name_systematic 'Si P2' _space_group_IT_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.682 _cell_length_b 5.682 _cell_length_c 5.682 _cell_volume 183.444 _citation_journal_id_ASTM RPCJAP _cod_data_source_file Osugi_RPCJAP_1966_1663.cif _cod_data_source_block P2Si1 _cod_original_cell_volume 183.4441 _cod_original_formula_sum 'P2 Si1' _cod_database_code 1542017 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 z,x,y -z+1/2,-x,y+1/2 z+1/2,-x+1/2,-y -z,x+1/2,-y+1/2 y,z,x y+1/2,-z+1/2,-x -y,z+1/2,-x+1/2 -y+1/2,-z,x+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 -z,-x,-y z-1/2,x,-y-1/2 -z-1/2,x-1/2,y z,-x-1/2,y-1/2 -y,-z,-x -y-1/2,z-1/2,x y,-z-1/2,x-1/2 y-1/2,z,-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 Si1 Si 0 0 0 1 0.0 P1 P 0.38 0.38 0.38 1 0.0