The material structure described by Cr2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Cr site, Cr(2) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. O(1) is bonded to one Cr(1) and three equivalent Cr(2) atoms to form a mixture of corner and edge-sharing OCr4 trigonal pyramids. is represented by the CIF card [CIF]
data_Cr2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.039
_cell_length_b   9.282
_cell_length_c   9.282
_cell_angle_alpha   89.998
_cell_angle_beta   54.735
_cell_angle_gamma   54.732
_symmetry_Int_Tables_number   1
_cell_volume   399.881
_cell_formula_units_Z   8
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  0.998  0.002  0.001  1.0
  Cr  Cr1  1  0.998  0.002  0.501  1.0
  Cr  Cr2  1  0.998  0.502  0.001  1.0
  Cr  Cr3  1  0.998  0.502  0.501  1.0
  Cr  Cr4  1  0.998  0.252  0.290  1.0
  Cr  Cr5  1  0.998  0.252  0.790  1.0
  Cr  Cr6  1  0.498  0.541  0.751  1.0
  Cr  Cr7  1  0.498  0.463  0.251  1.0
  Cr  Cr8  1  0.420  0.291  0.040  1.0
  Cr  Cr9  1  0.420  0.791  0.540  1.0
  Cr  Cr10  1  0.576  0.713  0.962  1.0
  Cr  Cr11  1  0.576  0.213  0.462  1.0
  Cr  Cr12  1  0.498  0.963  0.251  1.0
  Cr  Cr13  1  0.498  0.041  0.751  1.0
  Cr  Cr14  1  0.998  0.752  0.712  1.0
  Cr  Cr15  1  0.998  0.752  0.212  1.0
  O  O16  1  0.183  0.550  0.274  1.0
  O  O17  1  0.183  0.769  0.774  1.0
  O  O18  1  0.183  0.050  0.544  1.0
  O  O19  1  0.183  0.269  0.044  1.0
  O  O20  1  0.267  0.960  0.226  1.0
  O  O21  1  0.267  0.275  0.726  1.0
  O  O22  1  0.267  0.775  0.007  1.0
  O  O23  1  0.267  0.459  0.507  1.0
  O  O24  1  0.279  0.996  0.768  1.0
  O  O25  1  0.279  0.227  0.268  1.0
  O  O26  1  0.279  0.496  0.953  1.0
  O  O27  1  0.279  0.727  0.453  1.0
  O  O28  1  0.717  0.777  0.734  1.0
  O  O29  1  0.717  0.008  0.234  1.0
  O  O30  1  0.717  0.277  0.550  1.0
  O  O31  1  0.717  0.508  0.050  1.0
  O  O32  1  0.729  0.729  0.277  1.0
  O  O33  1  0.729  0.044  0.777  1.0
  O  O34  1  0.729  0.229  0.995  1.0
  O  O35  1  0.729  0.544  0.495  1.0
  O  O36  1  0.813  0.453  0.728  1.0
  O  O37  1  0.813  0.235  0.228  1.0
  O  O38  1  0.813  0.735  0.959  1.0
  O  O39  1  0.813  0.953  0.459  1.0
[/CIF]
.
The material structure described by Cr2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Cr site, Cr(2) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. O(1) is bonded to one Cr(1) and three equivalent Cr(2) atoms to form a mixture of corner and edge-sharing OCr4 trigonal pyramids. is represented by the CIF card [CIF]
data_Cr2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.039
_cell_length_b   9.282
_cell_length_c   9.282
_cell_angle_alpha   89.998
_cell_angle_beta   54.735
_cell_angle_gamma   54.732
_symmetry_Int_Tables_number   1
_cell_volume   399.881
_cell_formula_units_Z   8
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  0.998  0.002  0.001  1.0
  Cr  Cr1  1  0.998  0.002  0.501  1.0
  Cr  Cr2  1  0.998  0.502  0.001  1.0
  Cr  Cr3  1  0.998  0.502  0.501  1.0
  Cr  Cr4  1  0.998  0.252  0.290  1.0
  Cr  Cr5  1  0.998  0.252  0.790  1.0
  Cr  Cr6  1  0.498  0.541  0.751  1.0
  Cr  Cr7  1  0.498  0.463  0.251  1.0
  Cr  Cr8  1  0.420  0.291  0.040  1.0
  Cr  Cr9  1  0.420  0.791  0.540  1.0
  Cr  Cr10  1  0.576  0.713  0.962  1.0
  Cr  Cr11  1  0.576  0.213  0.462  1.0
  Cr  Cr12  1  0.498  0.963  0.251  1.0
  Cr  Cr13  1  0.498  0.041  0.751  1.0
  Cr  Cr14  1  0.998  0.752  0.712  1.0
  Cr  Cr15  1  0.998  0.752  0.212  1.0
  O  O16  1  0.183  0.550  0.274  1.0
  O  O17  1  0.183  0.769  0.774  1.0
  O  O18  1  0.183  0.050  0.544  1.0
  O  O19  1  0.183  0.269  0.044  1.0
  O  O20  1  0.267  0.960  0.226  1.0
  O  O21  1  0.267  0.275  0.726  1.0
  O  O22  1  0.267  0.775  0.007  1.0
  O  O23  1  0.267  0.459  0.507  1.0
  O  O24  1  0.279  0.996  0.768  1.0
  O  O25  1  0.279  0.227  0.268  1.0
  O  O26  1  0.279  0.496  0.953  1.0
  O  O27  1  0.279  0.727  0.453  1.0
  O  O28  1  0.717  0.777  0.734  1.0
  O  O29  1  0.717  0.008  0.234  1.0
  O  O30  1  0.717  0.277  0.550  1.0
  O  O31  1  0.717  0.508  0.050  1.0
  O  O32  1  0.729  0.729  0.277  1.0
  O  O33  1  0.729  0.044  0.777  1.0
  O  O34  1  0.729  0.229  0.995  1.0
  O  O35  1  0.729  0.544  0.495  1.0
  O  O36  1  0.813  0.453  0.728  1.0
  O  O37  1  0.813  0.235  0.228  1.0
  O  O38  1  0.813  0.735  0.959  1.0
  O  O39  1  0.813  0.953  0.459  1.0
[/CIF]
.