Fe2O3 is Corundum-like structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one O(9) atom to form a mixture of edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 50-73°. In the second Fe site, Fe(2) is bonded to one O(12), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-72°. In the third Fe site, Fe(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-72°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 50-72°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(11), one O(2), one O(5), one O(6), and one O(8) atom to form a mixture of edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-72°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(9) atom to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-73°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(8) atom to form a mixture of edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-73°. In the eighth Fe site, Fe(8) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(9) atom to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-73°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Fe(4), one Fe(5), one Fe(6), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the second O site, O(2) is bonded to one Fe(4), one Fe(5), one Fe(6), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the third O site, O(3) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(7) atom to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the fourth O site, O(4) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(7) atom to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the fifth O site, O(5) is bonded to one Fe(3), one Fe(4), one Fe(5), and one Fe(6) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the sixth O site, O(6) is bonded to one Fe(2), one Fe(4), one Fe(5), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the eighth O site, O(8) is bonded to one Fe(2), one Fe(3), one Fe(5), and one Fe(7) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(4), one Fe(6), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the tenth O site, O(10) is bonded to one Fe(1), one Fe(3), one Fe(6), and one Fe(7) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the eleventh O site, O(11) is bonded to one Fe(5), one Fe(6), one Fe(7), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the twelfth O site, O(12) is bonded to one Fe(1), one Fe(2), one Fe(7), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra.
Fe2O3 is Corundum-like structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one O(9) atom to form a mixture of edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 50-73°. The Fe(1)-O(10) bond length is 1.99 Å. The Fe(1)-O(12) bond length is 2.08 Å. The Fe(1)-O(3) bond length is 2.01 Å. The Fe(1)-O(4) bond length is 2.10 Å. The Fe(1)-O(7) bond length is 2.13 Å. The Fe(1)-O(9) bond length is 2.01 Å. In the second Fe site, Fe(2) is bonded to one O(12), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-72°. The Fe(2)-O(12) bond length is 2.17 Å. The Fe(2)-O(3) bond length is 2.00 Å. The Fe(2)-O(4) bond length is 2.15 Å. The Fe(2)-O(6) bond length is 2.01 Å. The Fe(2)-O(7) bond length is 2.10 Å. The Fe(2)-O(8) bond length is 1.99 Å. In the third Fe site, Fe(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-72°. The Fe(3)-O(10) bond length is 2.20 Å. The Fe(3)-O(3) bond length is 2.10 Å. The Fe(3)-O(4) bond length is 1.98 Å. The Fe(3)-O(5) bond length is 2.02 Å. The Fe(3)-O(7) bond length is 2.01 Å. The Fe(3)-O(8) bond length is 2.12 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 50-72°. The Fe(4)-O(1) bond length is 1.97 Å. The Fe(4)-O(2) bond length is 2.05 Å. The Fe(4)-O(5) bond length is 2.02 Å. The Fe(4)-O(6) bond length is 2.12 Å. The Fe(4)-O(7) bond length is 2.03 Å. The Fe(4)-O(9) bond length is 2.17 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(11), one O(2), one O(5), one O(6), and one O(8) atom to form a mixture of edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-72°. The Fe(5)-O(1) bond length is 2.10 Å. The Fe(5)-O(11) bond length is 2.13 Å. The Fe(5)-O(2) bond length is 2.01 Å. The Fe(5)-O(5) bond length is 2.08 Å. The Fe(5)-O(6) bond length is 1.99 Å. The Fe(5)-O(8) bond length is 2.03 Å. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(9) atom to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-73°. The Fe(6)-O(1) bond length is 2.13 Å. The Fe(6)-O(10) bond length is 2.01 Å. The Fe(6)-O(11) bond length is 2.12 Å. The Fe(6)-O(2) bond length is 2.01 Å. The Fe(6)-O(5) bond length is 2.19 Å. The Fe(6)-O(9) bond length is 1.98 Å. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(8) atom to form a mixture of edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-73°. The Fe(7)-O(10) bond length is 2.10 Å. The Fe(7)-O(11) bond length is 2.03 Å. The Fe(7)-O(12) bond length is 2.02 Å. The Fe(7)-O(3) bond length is 2.05 Å. The Fe(7)-O(4) bond length is 1.97 Å. The Fe(7)-O(8) bond length is 2.15 Å. In the eighth Fe site, Fe(8) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(9) atom to form a mixture of distorted edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 51-73°. The Fe(8)-O(1) bond length is 1.99 Å. The Fe(8)-O(11) bond length is 2.01 Å. The Fe(8)-O(12) bond length is 2.03 Å. The Fe(8)-O(2) bond length is 2.10 Å. The Fe(8)-O(6) bond length is 2.20 Å. The Fe(8)-O(9) bond length is 2.12 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Fe(4), one Fe(5), one Fe(6), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the second O site, O(2) is bonded to one Fe(4), one Fe(5), one Fe(6), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the third O site, O(3) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(7) atom to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the fourth O site, O(4) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(7) atom to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the fifth O site, O(5) is bonded to one Fe(3), one Fe(4), one Fe(5), and one Fe(6) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the sixth O site, O(6) is bonded to one Fe(2), one Fe(4), one Fe(5), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the eighth O site, O(8) is bonded to one Fe(2), one Fe(3), one Fe(5), and one Fe(7) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(4), one Fe(6), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the tenth O site, O(10) is bonded to one Fe(1), one Fe(3), one Fe(6), and one Fe(7) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the eleventh O site, O(11) is bonded to one Fe(5), one Fe(6), one Fe(7), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra. In the twelfth O site, O(12) is bonded to one Fe(1), one Fe(2), one Fe(7), and one Fe(8) atom to form a mixture of distorted edge and corner-sharing OFe4 tetrahedra.