The crystal structure described by Fe2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. O(1) is bonded to one Fe(2) and three equivalent Fe(1) atoms to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. is represented by the CIF file [CIF]
data_Fe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.276
_cell_length_b   8.276
_cell_length_c   8.276
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   436.329
_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
  Fe  Fe0  1  0.250  0.212  0.962  1.0
  Fe  Fe1  1  0.288  0.538  0.750  1.0
  Fe  Fe2  1  0.750  0.788  0.038  1.0
  Fe  Fe3  1  0.038  0.750  0.788  1.0
  Fe  Fe4  1  0.250  0.712  0.462  1.0
  Fe  Fe5  1  0.962  0.250  0.212  1.0
  Fe  Fe6  1  0.538  0.750  0.288  1.0
  Fe  Fe7  1  0.462  0.250  0.712  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.750  0.288  0.538  1.0
  Fe  Fe10  1  0.212  0.962  0.250  1.0
  Fe  Fe11  1  0.788  0.038  0.750  1.0
  Fe  Fe12  1  0.712  0.462  0.250  1.0
  Fe  Fe13  1  0.500  0.000  0.000  1.0
  Fe  Fe14  1  0.500  0.500  0.500  1.0
  Fe  Fe15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.274  0.006  0.048  1.0
  O  O17  1  0.267  0.774  0.726  1.0
  O  O18  1  0.726  0.267  0.774  1.0
  O  O19  1  0.048  0.274  0.006  1.0
  O  O20  1  0.494  0.767  0.041  1.0
  O  O21  1  0.006  0.048  0.274  1.0
  O  O22  1  0.226  0.452  0.459  1.0
  O  O23  1  0.548  0.541  0.774  1.0
  O  O24  1  0.506  0.233  0.959  1.0
  O  O25  1  0.233  0.959  0.506  1.0
  O  O26  1  0.541  0.774  0.548  1.0
  O  O27  1  0.959  0.506  0.233  1.0
  O  O28  1  0.952  0.726  0.994  1.0
  O  O29  1  0.041  0.494  0.767  1.0
  O  O30  1  0.733  0.226  0.274  1.0
  O  O31  1  0.774  0.548  0.541  1.0
  O  O32  1  0.452  0.459  0.226  1.0
  O  O33  1  0.767  0.041  0.494  1.0
  O  O34  1  0.459  0.226  0.452  1.0
  O  O35  1  0.774  0.726  0.267  1.0
  O  O36  1  0.994  0.952  0.726  1.0
  O  O37  1  0.226  0.274  0.733  1.0
  O  O38  1  0.726  0.994  0.952  1.0
  O  O39  1  0.274  0.733  0.226  1.0
[/CIF]
.
The crystal structure described by Fe2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. O(1) is bonded to one Fe(2) and three equivalent Fe(1) atoms to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. is represented by the CIF file [CIF]
data_Fe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.276
_cell_length_b   8.276
_cell_length_c   8.276
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   436.329
_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
  Fe  Fe0  1  0.250  0.212  0.962  1.0
  Fe  Fe1  1  0.288  0.538  0.750  1.0
  Fe  Fe2  1  0.750  0.788  0.038  1.0
  Fe  Fe3  1  0.038  0.750  0.788  1.0
  Fe  Fe4  1  0.250  0.712  0.462  1.0
  Fe  Fe5  1  0.962  0.250  0.212  1.0
  Fe  Fe6  1  0.538  0.750  0.288  1.0
  Fe  Fe7  1  0.462  0.250  0.712  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.750  0.288  0.538  1.0
  Fe  Fe10  1  0.212  0.962  0.250  1.0
  Fe  Fe11  1  0.788  0.038  0.750  1.0
  Fe  Fe12  1  0.712  0.462  0.250  1.0
  Fe  Fe13  1  0.500  0.000  0.000  1.0
  Fe  Fe14  1  0.500  0.500  0.500  1.0
  Fe  Fe15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.274  0.006  0.048  1.0
  O  O17  1  0.267  0.774  0.726  1.0
  O  O18  1  0.726  0.267  0.774  1.0
  O  O19  1  0.048  0.274  0.006  1.0
  O  O20  1  0.494  0.767  0.041  1.0
  O  O21  1  0.006  0.048  0.274  1.0
  O  O22  1  0.226  0.452  0.459  1.0
  O  O23  1  0.548  0.541  0.774  1.0
  O  O24  1  0.506  0.233  0.959  1.0
  O  O25  1  0.233  0.959  0.506  1.0
  O  O26  1  0.541  0.774  0.548  1.0
  O  O27  1  0.959  0.506  0.233  1.0
  O  O28  1  0.952  0.726  0.994  1.0
  O  O29  1  0.041  0.494  0.767  1.0
  O  O30  1  0.733  0.226  0.274  1.0
  O  O31  1  0.774  0.548  0.541  1.0
  O  O32  1  0.452  0.459  0.226  1.0
  O  O33  1  0.767  0.041  0.494  1.0
  O  O34  1  0.459  0.226  0.452  1.0
  O  O35  1  0.774  0.726  0.267  1.0
  O  O36  1  0.994  0.952  0.726  1.0
  O  O37  1  0.226  0.274  0.733  1.0
  O  O38  1  0.726  0.994  0.952  1.0
  O  O39  1  0.274  0.733  0.226  1.0
[/CIF]
.