#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/9/9009782.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_9009782 _space_group_IT_number 167 _symmetry_space_group_name_Hall '-P 3* 2n' _symmetry_space_group_name_H-M 'R -3 c :R' _[local]_cod_cif_authors_sg_H-M 'R -3 c' loop_ _publ_author_name 'Pauling L' 'Hendricks S B' _publ_section_title ; Crystal structures of hematite and corundum ; _journal_name_full 'Journal of the American Chemical Society' _journal_page_first 781 _journal_page_last 790 _journal_volume 47 _journal_year 1925 _chemical_formula_sum 'Fe2 O3' _chemical_name_mineral Hematite _cell_angle_alpha 55.28 _cell_angle_beta 55.28 _cell_angle_gamma 55.28 _cell_length_a 5.420 _cell_length_b 5.420 _cell_length_c 5.420 _cell_volume 100.236 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,1/2-z,1/2-y -z,-x,-y 1/2+y,1/2+x,1/2+z y,z,x 1/2-z,1/2-y,1/2-x -x,-y,-z 1/2+x,1/2+z,1/2+y z,x,y 1/2-y,1/2-x,1/2-z -y,-z,-x 1/2+z,1/2+y,1/2+x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe 0.35500 0.35500 0.35500 O 0.54200 -0.04200 0.25000 _cod_database_code 9009782