The material described by Cr2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner, face, and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 49-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the second O site, O(2) is bonded to four equivalent Cr(1) atoms to form a mixture of corner and edge-sharing OCr4 tetrahedra. is represented by the CIF file [CIF]
data_Cr2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   5.211
_cell_length_c   7.195
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   188.930
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.250  0.467  0.607  1.0
  Cr  Cr1  1  0.250  0.033  0.393  1.0
  Cr  Cr2  1  0.250  0.533  0.107  1.0
  Cr  Cr3  1  0.250  0.967  0.893  1.0
  Cr  Cr4  1  0.750  0.033  0.107  1.0
  Cr  Cr5  1  0.750  0.467  0.893  1.0
  Cr  Cr6  1  0.750  0.533  0.393  1.0
  Cr  Cr7  1  0.750  0.967  0.607  1.0
  O  O8  1  0.050  0.250  0.000  1.0
  O  O9  1  0.108  0.394  0.349  1.0
  O  O10  1  0.108  0.106  0.651  1.0
  O  O11  1  0.392  0.606  0.849  1.0
  O  O12  1  0.392  0.894  0.151  1.0
  O  O13  1  0.450  0.750  0.500  1.0
  O  O14  1  0.550  0.250  0.500  1.0
  O  O15  1  0.608  0.394  0.151  1.0
  O  O16  1  0.608  0.106  0.849  1.0
  O  O17  1  0.892  0.606  0.651  1.0
  O  O18  1  0.892  0.894  0.349  1.0
  O  O19  1  0.950  0.750  0.000  1.0
[/CIF]
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The material described by Cr2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner, face, and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 49-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the second O site, O(2) is bonded to four equivalent Cr(1) atoms to form a mixture of corner and edge-sharing OCr4 tetrahedra. is represented by the CIF file [CIF]
data_Cr2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   5.211
_cell_length_c   7.195
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   188.930
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.250  0.467  0.607  1.0
  Cr  Cr1  1  0.250  0.033  0.393  1.0
  Cr  Cr2  1  0.250  0.533  0.107  1.0
  Cr  Cr3  1  0.250  0.967  0.893  1.0
  Cr  Cr4  1  0.750  0.033  0.107  1.0
  Cr  Cr5  1  0.750  0.467  0.893  1.0
  Cr  Cr6  1  0.750  0.533  0.393  1.0
  Cr  Cr7  1  0.750  0.967  0.607  1.0
  O  O8  1  0.050  0.250  0.000  1.0
  O  O9  1  0.108  0.394  0.349  1.0
  O  O10  1  0.108  0.106  0.651  1.0
  O  O11  1  0.392  0.606  0.849  1.0
  O  O12  1  0.392  0.894  0.151  1.0
  O  O13  1  0.450  0.750  0.500  1.0
  O  O14  1  0.550  0.250  0.500  1.0
  O  O15  1  0.608  0.394  0.151  1.0
  O  O16  1  0.608  0.106  0.849  1.0
  O  O17  1  0.892  0.606  0.651  1.0
  O  O18  1  0.892  0.894  0.349  1.0
  O  O19  1  0.950  0.750  0.000  1.0
[/CIF]
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