#------------------------------------------------------------------------------ #$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/5000215.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_5000215 _chemical_name_systematic 'Bismuth' _chemical_name_mineral 'Bismuth' _chemical_formula_structural 'Bi' _chemical_formula_sum 'Bi' _publ_section_title ; The Crystal Structure of Bi and of solid solutions of Pb, Sn, Sb and Te in Bi ; _space_group_IT_number 166 _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _[local]_cod_cif_authors_sg_H-M 'R -3 m H' loop_ _publ_author_name 'Cucka, P' 'Barrett, C S' _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_volume 15 _journal_year 1962 _journal_page_first 865 _journal_page_last 872 _cell_length_a 4.535(2) _cell_length_b 4.535(2) _cell_length_c 11.814(6) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 210.4 _cell_formula_units_Z 6 _symmetry_cell_setting trigonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-y,x-y,z' 'y-x,-x,z' '-y,-x,z' 'x,x-y,z' 'y-x,y,z' '-x,-y,-z' 'y,y-x,-z' 'x-y,x,-z' 'y,x,-z' '-x,y-x,-z' 'x-y,-y,-z' '1/3+x,2/3+y,2/3+z' '2/3+x,1/3+y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '2/3-y,1/3+x-y,1/3+z' '1/3-x+y,2/3-x,2/3+z' '2/3-x+y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' '2/3-y,1/3-x,1/3+z' '1/3+x,2/3+x-y,2/3+z' '2/3+x,1/3+x-y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '2/3-x+y,1/3+y,1/3+z' '1/3-x,2/3-y,2/3-z' '2/3-x,1/3-y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '2/3+y,1/3-x+y,1/3-z' '1/3+x-y,2/3+x,2/3-z' '2/3+x-y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '2/3+y,1/3+x,1/3-z' '1/3-x,2/3-x+y,2/3-z' '2/3-x,1/3-x+y,1/3-z' '1/3+x-y,2/3-y,2/3-z' '2/3+x-y,1/3-y,1/3-z' loop_ _atom_type_symbol _atom_type_oxidation_number Bi0 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Bi1 Bi0 6 c 0. 0. 0.23400(2) 1. 0 d _refine_ls_R_factor_all 0.0278