data_1010914
_chemical_name_systematic          'Aluminium oxide'
_chemical_name_mineral             'Corundum'
_chemical_formula_structural       'Al2 O3'
_chemical_formula_sum              'Al2 O3'
_publ_section_title                'Crystal Structures of Hematite and Corundum'
loop_
_publ_author_name
  'Pauling, L'
  'Hendricks, S B'
_journal_name_full                 'Journal of the American Chemical Society'
_journal_coden_ASTM                JACSAT
_journal_volume                    47
_journal_year                      1925
_journal_page_first                781
_journal_page_last                 790
_cell_length_a                     5.12(1)
_cell_length_b                     5.12(1)
_cell_length_c                     5.12(1)
_cell_angle_alpha                  55.28
_cell_angle_beta                   55.28
_cell_angle_gamma                  55.28
_cell_volume                       84.5
_cell_formula_units_Z              2
_exptl_crystal_density_meas        3.99
_symmetry_space_group_name_H-M     'R -3 c R'
_symmetry_Int_Tables_number        167
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
  '1/2+y,1/2+x,1/2+z'
  '1/2+z,1/2+y,1/2+x'
  '1/2+x,1/2+z,1/2+y'
  '1/2-y,1/2-x,1/2-z'
  '1/2-z,1/2-y,1/2-x'
  '1/2-x,1/2-z,1/2-y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Al3+   3.000
  O2-   -2.000
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
  Al1   Al3+   4 c 0.355(1) 0.355(1) 0.355(1) 1.  0 d
  O1    O2-    6 e 0.553(3) -0.053(3) 0.25 1.  0 d