data_global
_chemical_name_mineral 'Hematite'
loop_
_publ_author_name
'Pauling L'
'Hendricks S B'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 47 
_journal_year 1925
_journal_page_first 781
_journal_page_last 790
_publ_section_title
;
 Crystal structures of hematite and corundum
;
_database_code_amcsd 0014076
_chemical_compound_source 'natural'
_chemical_formula_sum 'Fe2 O3'
_cell_length_a 5.420
_cell_length_b 5.420
_cell_length_c 5.420
_cell_angle_alpha 55.28
_cell_angle_beta 55.28
_cell_angle_gamma 55.28
_cell_volume 100.236
_exptl_crystal_density_diffrn      5.291
_symmetry_space_group_name_H-M 'R -3 c'
loop_
_space_group_symop_operation_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