The compound described by Fe2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. Fe(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. O(1) is bonded to four equivalent Fe(1) atoms to form a mixture of distorted 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   5.092
_cell_length_b   5.452
_cell_length_c   5.092
_cell_angle_alpha   62.163
_cell_angle_beta   119.985
_cell_angle_gamma   117.837
_symmetry_Int_Tables_number   1
_cell_volume   103.111
_cell_formula_units_Z   2
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  0.355  0.064  0.645  1.0
  Fe  Fe1  1  0.145  0.436  0.855  1.0
  Fe  Fe2  1  0.645  0.936  0.355  1.0
  Fe  Fe3  1  0.855  0.564  0.145  1.0
  O  O4  1  0.555  0.750  0.055  1.0
  O  O5  1  0.250  0.750  0.445  1.0
  O  O6  1  0.055  0.250  0.250  1.0
  O  O7  1  0.750  0.250  0.555  1.0
  O  O8  1  0.445  0.250  0.945  1.0
  O  O9  1  0.945  0.750  0.750  1.0
[/CIF]
.
The compound described by Fe2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. Fe(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. O(1) is bonded to four equivalent Fe(1) atoms to form a mixture of distorted 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   5.092
_cell_length_b   5.452
_cell_length_c   5.092
_cell_angle_alpha   62.163
_cell_angle_beta   119.985
_cell_angle_gamma   117.837
_symmetry_Int_Tables_number   1
_cell_volume   103.111
_cell_formula_units_Z   2
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  0.355  0.064  0.645  1.0
  Fe  Fe1  1  0.145  0.436  0.855  1.0
  Fe  Fe2  1  0.645  0.936  0.355  1.0
  Fe  Fe3  1  0.855  0.564  0.145  1.0
  O  O4  1  0.555  0.750  0.055  1.0
  O  O5  1  0.250  0.750  0.445  1.0
  O  O6  1  0.055  0.250  0.250  1.0
  O  O7  1  0.750  0.250  0.555  1.0
  O  O8  1  0.445  0.250  0.945  1.0
  O  O9  1  0.945  0.750  0.750  1.0
[/CIF]
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