#------------------------------------------------------------------------------ #$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $ #$Revision: 255 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9008084.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_9008084 loop_ _publ_author_name 'Newnham R E' 'de Haan Y M' _publ_section_title ; Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures Locality: synthetic ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 235 _journal_page_last 237 _journal_volume 117 _journal_year 1962 _chemical_formula_sum 'Cr2 O3' _chemical_name_mineral Eskolaite _symmetry_space_group_name_H-M 'R -3 c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 4.9607 _cell_length_b 4.9607 _cell_length_c 13.599 _cell_volume 289.817 loop_ _symmetry_equiv_pos_as_xyz x,y,z 2/3+x,1/3+y,1/3+z 1/3+x,2/3+y,2/3+z x,x-y,1/2+z 2/3+x,1/3+x-y,5/6+z 1/3+x,2/3+x-y,1/6+z y,x,1/2-z 2/3+y,1/3+x,5/6-z 1/3+y,2/3+x,1/6-z -x+y,y,1/2+z 2/3-x+y,1/3+y,5/6+z 1/3-x+y,2/3+y,1/6+z -x,-x+y,1/2-z 2/3-x,1/3-x+y,5/6-z 1/3-x,2/3-x+y,1/6-z -y,-x,1/2+z 2/3-y,1/3-x,5/6+z 1/3-y,2/3-x,1/6+z x-y,-y,1/2-z 2/3+x-y,1/3-y,5/6-z 1/3+x-y,2/3-y,1/6-z y,-x+y,-z 2/3+y,1/3-x+y,1/3-z 1/3+y,2/3-x+y,2/3-z -x+y,-x,z 2/3-x+y,1/3-x,1/3+z 1/3-x+y,2/3-x,2/3+z -x,-y,-z 2/3-x,1/3-y,1/3-z 1/3-x,2/3-y,2/3-z -y,x-y,z 2/3-y,1/3+x-y,1/3+z 1/3-y,2/3+x-y,2/3+z x-y,x,-z 2/3+x-y,1/3+x,1/3-z 1/3+x-y,2/3+x,2/3-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cr 0.00000 0.00000 0.34750 O 0.30600 0.00000 0.25000