The compound described by Fe2O3 is Corundum-like structured and crystallizes in the triclinic P1 space group. There are sixteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(17), one O(21), one O(22), one O(4), and one O(9) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Fe site, Fe(2) is bonded to one O(14), one O(2), one O(22), one O(5), one O(7), and one O(8) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the third Fe site, Fe(3) is bonded to one O(13), one O(20), one O(23), one O(5), one O(6), and one O(8) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(14), one O(16), one O(2), and one O(21) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(12), one O(2), one O(24), and one O(7) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the sixth Fe site, Fe(6) is bonded to one O(12), one O(15), one O(23), one O(4), one O(6), and one O(7) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(17), one O(18), one O(20), one O(24), and one O(5) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(19), one O(22), one O(3), one O(8), and one O(9) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. In the ninth Fe site, Fe(9) is bonded to one O(14), one O(15), one O(16), one O(18), one O(19), and one O(3) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(10), one O(13), one O(19), one O(24), and one O(6) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the eleventh Fe site, Fe(11) is bonded to one O(11), one O(18), one O(21), one O(23), one O(3), and one O(4) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the twelfth Fe site, Fe(12) is bonded to one O(12), one O(15), one O(16), one O(17), one O(20), and one O(9) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the thirteenth Fe site, Fe(13) is bonded to one O(10), one O(18), one O(20), one O(21), one O(22), and one O(6) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the fourteenth Fe site, Fe(14) is bonded to one O(1), one O(15), one O(2), one O(23), one O(5), and one O(9) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the fifteenth Fe site, Fe(15) is bonded to one O(11), one O(16), one O(17), one O(19), one O(7), and one O(8) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the sixteenth Fe site, Fe(16) is bonded to one O(12), one O(13), one O(14), one O(24), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(10), one Fe(14), and one Fe(4) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the second O site, O(2) is bonded to one Fe(14), one Fe(2), one Fe(4), and one Fe(5) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the third O site, O(3) is bonded to one Fe(11), one Fe(16), one Fe(8), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the fourth O site, O(4) is bonded to one Fe(1), one Fe(11), one Fe(16), and one Fe(6) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the fifth O site, O(5) is bonded to one Fe(14), one Fe(2), one Fe(3), and one Fe(7) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Fe(10), one Fe(13), one Fe(3), and one Fe(6) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Fe(15), one Fe(2), one Fe(5), and one Fe(6) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the eighth O site, O(8) is bonded to one Fe(15), one Fe(2), one Fe(3), and one Fe(8) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(12), one Fe(14), and one Fe(8) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the tenth O site, O(10) is bonded to one Fe(10), one Fe(13), one Fe(5), and one Fe(8) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the eleventh O site, O(11) is bonded to one Fe(11), one Fe(15), one Fe(5), and one Fe(7) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Fe(12), one Fe(16), one Fe(5), and one Fe(6) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Fe(10), one Fe(16), one Fe(3), and one Fe(4) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Fe(16), one Fe(2), one Fe(4), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Fe(12), one Fe(14), one Fe(6), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the sixteenth O site, O(16) is bonded to one Fe(12), one Fe(15), one Fe(4), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Fe(1), one Fe(12), one Fe(15), and one Fe(7) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Fe(11), one Fe(13), one Fe(7), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the nineteenth O site, O(19) is bonded to one Fe(10), one Fe(15), one Fe(8), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twentieth O site, O(20) is bonded to one Fe(12), one Fe(13), one Fe(3), and one Fe(7) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twenty-first O site, O(21) is bonded to one Fe(1), one Fe(11), one Fe(13), and one Fe(4) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twenty-second O site, O(22) is bonded to one Fe(1), one Fe(13), one Fe(2), and one Fe(8) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twenty-third O site, O(23) is bonded to one Fe(11), one Fe(14), one Fe(3), and one Fe(6) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twenty-fourth O site, O(24) is bonded to one Fe(10), one Fe(16), one Fe(5), and one Fe(7) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.095
_cell_length_b   8.097
_cell_length_c   8.091
_cell_angle_alpha   71.212
_cell_angle_beta   109.581
_cell_angle_gamma   70.117
_symmetry_Int_Tables_number   1
_cell_volume   409.028
_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  0.782  0.972  0.250  1.0
  Fe  Fe1  1  0.467  0.752  0.218  1.0
  Fe  Fe2  1  0.216  0.033  0.752  1.0
  Fe  Fe3  1  0.248  0.779  0.471  1.0
  Fe  Fe4  1  0.287  0.466  0.250  1.0
  Fe  Fe5  1  0.752  0.219  0.533  1.0
  Fe  Fe6  1  0.247  0.284  0.967  1.0
  Fe  Fe7  1  0.749  0.721  0.030  1.0
  Fe  Fe8  1  0.718  0.533  0.748  1.0
  Fe  Fe9  1  0.038  0.249  0.284  1.0
  Fe  Fe10  1  0.966  0.749  0.717  1.0
  Fe  Fe11  1  0.532  0.252  0.781  1.0
  Fe  Fe12  1  0.998  0.500  0.494  1.0
  Fe  Fe13  1  0.001  0.997  0.002  1.0
  Fe  Fe14  1  0.503  0.499  0.002  1.0
  Fe  Fe15  1  0.500  0.998  0.501  1.0
  O  O16  1  0.984  0.049  0.229  1.0
  O  O17  1  0.221  0.731  0.232  1.0
  O  O18  1  0.736  0.777  0.775  1.0
  O  O19  1  0.722  0.009  0.452  1.0
  O  O20  1  0.230  0.039  0.012  1.0
  O  O21  1  0.951  0.276  0.487  1.0
  O  O22  1  0.550  0.462  0.270  1.0
  O  O23  1  0.461  0.772  0.952  1.0
  O  O24  1  0.761  0.964  0.986  1.0
  O  O25  1  0.042  0.509  0.267  1.0
  O  O26  1  0.223  0.548  0.966  1.0
  O  O27  1  0.485  0.244  0.532  1.0
  O  O28  1  0.276  0.989  0.548  1.0
  O  O29  1  0.514  0.758  0.465  1.0
  O  O30  1  0.774  0.274  0.759  1.0
  O  O31  1  0.449  0.539  0.724  1.0
  O  O32  1  0.538  0.230  0.047  1.0
  O  O33  1  0.966  0.485  0.741  1.0
  O  O34  1  0.777  0.457  0.035  1.0
  O  O35  1  0.278  0.256  0.731  1.0
  O  O36  1  0.050  0.723  0.515  1.0
  O  O37  1  0.729  0.735  0.276  1.0
  O  O38  1  0.012  0.952  0.770  1.0
  O  O39  1  0.265  0.221  0.227  1.0
[/CIF]
.
The compound described by Fe2O3 is Corundum-like structured and crystallizes in the triclinic P1 space group. There are sixteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(17), one O(21), one O(22), one O(4), and one O(9) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Fe site, Fe(2) is bonded to one O(14), one O(2), one O(22), one O(5), one O(7), and one O(8) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the third Fe site, Fe(3) is bonded to one O(13), one O(20), one O(23), one O(5), one O(6), and one O(8) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(14), one O(16), one O(2), and one O(21) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(11), one O(12), one O(2), one O(24), and one O(7) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the sixth Fe site, Fe(6) is bonded to one O(12), one O(15), one O(23), one O(4), one O(6), and one O(7) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the seventh Fe site, Fe(7) is bonded to one O(11), one O(17), one O(18), one O(20), one O(24), and one O(5) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(19), one O(22), one O(3), one O(8), and one O(9) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. In the ninth Fe site, Fe(9) is bonded to one O(14), one O(15), one O(16), one O(18), one O(19), and one O(3) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(10), one O(13), one O(19), one O(24), and one O(6) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the eleventh Fe site, Fe(11) is bonded to one O(11), one O(18), one O(21), one O(23), one O(3), and one O(4) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the twelfth Fe site, Fe(12) is bonded to one O(12), one O(15), one O(16), one O(17), one O(20), and one O(9) atom to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the thirteenth Fe site, Fe(13) is bonded to one O(10), one O(18), one O(20), one O(21), one O(22), and one O(6) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the fourteenth Fe site, Fe(14) is bonded to one O(1), one O(15), one O(2), one O(23), one O(5), and one O(9) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the fifteenth Fe site, Fe(15) is bonded to one O(11), one O(16), one O(17), one O(19), one O(7), and one O(8) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the sixteenth Fe site, Fe(16) is bonded to one O(12), one O(13), one O(14), one O(24), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(10), one Fe(14), and one Fe(4) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the second O site, O(2) is bonded to one Fe(14), one Fe(2), one Fe(4), and one Fe(5) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the third O site, O(3) is bonded to one Fe(11), one Fe(16), one Fe(8), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the fourth O site, O(4) is bonded to one Fe(1), one Fe(11), one Fe(16), and one Fe(6) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the fifth O site, O(5) is bonded to one Fe(14), one Fe(2), one Fe(3), and one Fe(7) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Fe(10), one Fe(13), one Fe(3), and one Fe(6) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Fe(15), one Fe(2), one Fe(5), and one Fe(6) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the eighth O site, O(8) is bonded to one Fe(15), one Fe(2), one Fe(3), and one Fe(8) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(12), one Fe(14), and one Fe(8) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the tenth O site, O(10) is bonded to one Fe(10), one Fe(13), one Fe(5), and one Fe(8) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the eleventh O site, O(11) is bonded to one Fe(11), one Fe(15), one Fe(5), and one Fe(7) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Fe(12), one Fe(16), one Fe(5), and one Fe(6) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Fe(10), one Fe(16), one Fe(3), and one Fe(4) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Fe(16), one Fe(2), one Fe(4), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the fifteenth O site, O(15) is bonded to one Fe(12), one Fe(14), one Fe(6), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the sixteenth O site, O(16) is bonded to one Fe(12), one Fe(15), one Fe(4), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Fe(1), one Fe(12), one Fe(15), and one Fe(7) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Fe(11), one Fe(13), one Fe(7), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the nineteenth O site, O(19) is bonded to one Fe(10), one Fe(15), one Fe(8), and one Fe(9) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twentieth O site, O(20) is bonded to one Fe(12), one Fe(13), one Fe(3), and one Fe(7) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twenty-first O site, O(21) is bonded to one Fe(1), one Fe(11), one Fe(13), and one Fe(4) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twenty-second O site, O(22) is bonded to one Fe(1), one Fe(13), one Fe(2), and one Fe(8) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twenty-third O site, O(23) is bonded to one Fe(11), one Fe(14), one Fe(3), and one Fe(6) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. In the twenty-fourth O site, O(24) is bonded to one Fe(10), one Fe(16), one Fe(5), and one Fe(7) atom to form a mixture of edge and corner-sharing OFe4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.095
_cell_length_b   8.097
_cell_length_c   8.091
_cell_angle_alpha   71.212
_cell_angle_beta   109.581
_cell_angle_gamma   70.117
_symmetry_Int_Tables_number   1
_cell_volume   409.028
_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  0.782  0.972  0.250  1.0
  Fe  Fe1  1  0.467  0.752  0.218  1.0
  Fe  Fe2  1  0.216  0.033  0.752  1.0
  Fe  Fe3  1  0.248  0.779  0.471  1.0
  Fe  Fe4  1  0.287  0.466  0.250  1.0
  Fe  Fe5  1  0.752  0.219  0.533  1.0
  Fe  Fe6  1  0.247  0.284  0.967  1.0
  Fe  Fe7  1  0.749  0.721  0.030  1.0
  Fe  Fe8  1  0.718  0.533  0.748  1.0
  Fe  Fe9  1  0.038  0.249  0.284  1.0
  Fe  Fe10  1  0.966  0.749  0.717  1.0
  Fe  Fe11  1  0.532  0.252  0.781  1.0
  Fe  Fe12  1  0.998  0.500  0.494  1.0
  Fe  Fe13  1  0.001  0.997  0.002  1.0
  Fe  Fe14  1  0.503  0.499  0.002  1.0
  Fe  Fe15  1  0.500  0.998  0.501  1.0
  O  O16  1  0.984  0.049  0.229  1.0
  O  O17  1  0.221  0.731  0.232  1.0
  O  O18  1  0.736  0.777  0.775  1.0
  O  O19  1  0.722  0.009  0.452  1.0
  O  O20  1  0.230  0.039  0.012  1.0
  O  O21  1  0.951  0.276  0.487  1.0
  O  O22  1  0.550  0.462  0.270  1.0
  O  O23  1  0.461  0.772  0.952  1.0
  O  O24  1  0.761  0.964  0.986  1.0
  O  O25  1  0.042  0.509  0.267  1.0
  O  O26  1  0.223  0.548  0.966  1.0
  O  O27  1  0.485  0.244  0.532  1.0
  O  O28  1  0.276  0.989  0.548  1.0
  O  O29  1  0.514  0.758  0.465  1.0
  O  O30  1  0.774  0.274  0.759  1.0
  O  O31  1  0.449  0.539  0.724  1.0
  O  O32  1  0.538  0.230  0.047  1.0
  O  O33  1  0.966  0.485  0.741  1.0
  O  O34  1  0.777  0.457  0.035  1.0
  O  O35  1  0.278  0.256  0.731  1.0
  O  O36  1  0.050  0.723  0.515  1.0
  O  O37  1  0.729  0.735  0.276  1.0
  O  O38  1  0.012  0.952  0.770  1.0
  O  O39  1  0.265  0.221  0.227  1.0
[/CIF]
.