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(10), one O(18), one O(19), one O(22), and one O(3) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(18), one O(19), one O(24), and one O(3) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-72°. In the third Fe site, Fe(3) is bonded to one O(17), one O(2), one O(20), one O(21), one O(4), and one O(9) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(17), one O(2), one O(20), one O(23), and one O(4) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-71°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(11), one O(13), one O(18), and one O(19) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-71°. In the sixth Fe site, Fe(6) is bonded to one O(12), one O(14), one O(17), one O(2), one O(20), and one O(9) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-70°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(11), one O(16), one O(18), one O(19), and one O(3) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(15), one O(17), one O(20), one O(4), and one O(9) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the ninth Fe site, Fe(9) is bonded to one O(13), one O(15), one O(21), one O(5), one O(7), and one O(9) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the tenth Fe site, Fe(10) is bonded to one O(10), one O(14), one O(16), one O(22), one O(6), and one O(8) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. In the eleventh Fe site, Fe(11) is bonded to one O(11), one O(13), one O(15), one O(24), one O(5), and one O(7) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-72°. In the twelfth Fe site, Fe(12) is bonded to one O(12), one O(14), one O(16), one O(23), one O(6), and one O(8) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-70°. In the thirteenth Fe site, Fe(13) is bonded to one O(15), one O(21), one O(24), one O(4), one O(5), and one O(7) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the fourteenth Fe site, Fe(14) is bonded to one O(1), one O(13), one O(21), one O(24), one O(5), and one O(7) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-69°. In the fifteenth Fe site, Fe(15) is bonded to one O(14), one O(2), one O(22), one O(23), one O(6), and one O(8) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-71°. In the sixteenth Fe site, Fe(16) is bonded to one O(16), one O(22), one O(23), one O(3), one O(6), and one O(8) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(14), one Fe(2), and one Fe(5) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the second O site, O(2) is bonded to one Fe(15), one Fe(3), one Fe(4), and one Fe(6) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the third O site, O(3) is bonded to one Fe(1), one Fe(16), one Fe(2), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the fourth O site, O(4) is bonded to one Fe(13), one Fe(3), one Fe(4), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the fifth O site, O(5) is bonded to one Fe(11), one Fe(13), one Fe(14), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Fe(10), one Fe(12), one Fe(15), and one Fe(16) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Fe(11), one Fe(13), one Fe(14), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the eighth O site, O(8) is bonded to one Fe(10), one Fe(12), one Fe(15), and one Fe(16) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the ninth O site, O(9) is bonded to one Fe(3), one Fe(6), one Fe(8), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(10), one Fe(5), and one Fe(7) atom. In the eleventh O site, O(11) is bonded to one Fe(11), one Fe(2), one Fe(5), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the twelfth O site, O(12) is bonded to one Fe(12), one Fe(4), one Fe(6), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the thirteenth O site, O(13) is bonded to one Fe(11), one Fe(14), one Fe(5), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the fourteenth O site, O(14) is bonded to one Fe(10), one Fe(12), one Fe(15), and one Fe(6) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the fifteenth O site, O(15) is bonded to one Fe(11), one Fe(13), one Fe(8), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the sixteenth O site, O(16) is bonded to one Fe(10), one Fe(12), one Fe(16), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Fe(3), one Fe(4), one Fe(6), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Fe(1), one Fe(2), one Fe(5), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the nineteenth O site, O(19) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(2), one Fe(5), and one Fe(7) atom. In the twentieth O site, O(20) is bonded to one Fe(3), one Fe(4), one Fe(6), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the twenty-first O site, O(21) is bonded to one Fe(13), one Fe(14), one Fe(3), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the twenty-second O site, O(22) is bonded to one Fe(1), one Fe(10), one Fe(15), and one Fe(16) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the twenty-third O site, O(23) is bonded to one Fe(12), one Fe(15), one Fe(16), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Fe(11), one Fe(13), one Fe(14), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra.
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(10), one O(18), one O(19), one O(22), and one O(3) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. The Fe(1)-O(1) bond length is 2.08 Å. The Fe(1)-O(10) bond length is 2.04 Å. The Fe(1)-O(18) bond length is 2.11 Å. The Fe(1)-O(19) bond length is 1.91 Å. The Fe(1)-O(22) bond length is 2.02 Å. The Fe(1)-O(3) bond length is 1.97 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(18), one O(19), one O(24), and one O(3) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-72°. The Fe(2)-O(1) bond length is 2.20 Å. The Fe(2)-O(11) bond length is 2.02 Å. The Fe(2)-O(18) bond length is 2.11 Å. The Fe(2)-O(19) bond length is 2.02 Å. The Fe(2)-O(24) bond length is 2.05 Å. The Fe(2)-O(3) bond length is 2.12 Å. In the third Fe site, Fe(3) is bonded to one O(17), one O(2), one O(20), one O(21), one O(4), and one O(9) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. The Fe(3)-O(17) bond length is 2.09 Å. The Fe(3)-O(2) bond length is 2.11 Å. The Fe(3)-O(20) bond length is 1.96 Å. The Fe(3)-O(21) bond length is 2.02 Å. The Fe(3)-O(4) bond length is 2.07 Å. The Fe(3)-O(9) bond length is 1.97 Å. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(17), one O(2), one O(20), one O(23), and one O(4) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-71°. The Fe(4)-O(12) bond length is 2.02 Å. The Fe(4)-O(17) bond length is 2.12 Å. The Fe(4)-O(2) bond length is 2.17 Å. The Fe(4)-O(20) bond length is 2.00 Å. The Fe(4)-O(23) bond length is 2.00 Å. The Fe(4)-O(4) bond length is 2.17 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(11), one O(13), one O(18), and one O(19) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-71°. The Fe(5)-O(1) bond length is 2.01 Å. The Fe(5)-O(10) bond length is 2.17 Å. The Fe(5)-O(11) bond length is 2.16 Å. The Fe(5)-O(13) bond length is 2.04 Å. The Fe(5)-O(18) bond length is 2.02 Å. The Fe(5)-O(19) bond length is 2.15 Å. In the sixth Fe site, Fe(6) is bonded to one O(12), one O(14), one O(17), one O(2), one O(20), and one O(9) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-70°. The Fe(6)-O(12) bond length is 2.15 Å. The Fe(6)-O(14) bond length is 2.00 Å. The Fe(6)-O(17) bond length is 2.03 Å. The Fe(6)-O(2) bond length is 2.01 Å. The Fe(6)-O(20) bond length is 2.12 Å. The Fe(6)-O(9) bond length is 2.17 Å. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(11), one O(16), one O(18), one O(19), and one O(3) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. The Fe(7)-O(10) bond length is 1.98 Å. The Fe(7)-O(11) bond length is 2.03 Å. The Fe(7)-O(16) bond length is 2.01 Å. The Fe(7)-O(18) bond length is 1.94 Å. The Fe(7)-O(19) bond length is 2.10 Å. The Fe(7)-O(3) bond length is 2.05 Å. In the eighth Fe site, Fe(8) is bonded to one O(12), one O(15), one O(17), one O(20), one O(4), and one O(9) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. The Fe(8)-O(12) bond length is 2.10 Å. The Fe(8)-O(15) bond length is 2.01 Å. The Fe(8)-O(17) bond length is 1.96 Å. The Fe(8)-O(20) bond length is 2.13 Å. The Fe(8)-O(4) bond length is 1.98 Å. The Fe(8)-O(9) bond length is 2.08 Å. In the ninth Fe site, Fe(9) is bonded to one O(13), one O(15), one O(21), one O(5), one O(7), and one O(9) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-63°. The Fe(9)-O(13) bond length is 2.12 Å. The Fe(9)-O(15) bond length is 2.08 Å. The Fe(9)-O(21) bond length is 1.99 Å. The Fe(9)-O(5) bond length is 2.15 Å. The Fe(9)-O(7) bond length is 1.97 Å. The Fe(9)-O(9) bond length is 2.00 Å. In the tenth Fe site, Fe(10) is bonded to one O(10), one O(14), one O(16), one O(22), one O(6), and one O(8) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. The Fe(10)-O(10) bond length is 1.99 Å. The Fe(10)-O(14) bond length is 2.14 Å. The Fe(10)-O(16) bond length is 2.07 Å. The Fe(10)-O(22) bond length is 1.97 Å. The Fe(10)-O(6) bond length is 2.13 Å. The Fe(10)-O(8) bond length is 1.98 Å. In the eleventh Fe site, Fe(11) is bonded to one O(11), one O(13), one O(15), one O(24), one O(5), and one O(7) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 46-72°. The Fe(11)-O(11) bond length is 2.01 Å. The Fe(11)-O(13) bond length is 2.12 Å. The Fe(11)-O(15) bond length is 2.11 Å. The Fe(11)-O(24) bond length is 2.03 Å. The Fe(11)-O(5) bond length is 2.13 Å. The Fe(11)-O(7) bond length is 2.03 Å. In the twelfth Fe site, Fe(12) is bonded to one O(12), one O(14), one O(16), one O(23), one O(6), and one O(8) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-70°. The Fe(12)-O(12) bond length is 2.04 Å. The Fe(12)-O(14) bond length is 2.13 Å. The Fe(12)-O(16) bond length is 2.13 Å. The Fe(12)-O(23) bond length is 2.01 Å. The Fe(12)-O(6) bond length is 2.11 Å. The Fe(12)-O(8) bond length is 2.02 Å. In the thirteenth Fe site, Fe(13) is bonded to one O(15), one O(21), one O(24), one O(4), one O(5), and one O(7) atom to form a mixture of distorted corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. The Fe(13)-O(15) bond length is 1.99 Å. The Fe(13)-O(21) bond length is 2.09 Å. The Fe(13)-O(24) bond length is 2.11 Å. The Fe(13)-O(4) bond length is 2.01 Å. The Fe(13)-O(5) bond length is 1.96 Å. The Fe(13)-O(7) bond length is 2.13 Å. In the fourteenth Fe site, Fe(14) is bonded to one O(1), one O(13), one O(21), one O(24), one O(5), and one O(7) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-69°. The Fe(14)-O(1) bond length is 2.03 Å. The Fe(14)-O(13) bond length is 1.98 Å. The Fe(14)-O(21) bond length is 2.02 Å. The Fe(14)-O(24) bond length is 2.04 Å. The Fe(14)-O(5) bond length is 1.97 Å. The Fe(14)-O(7) bond length is 2.03 Å. In the fifteenth Fe site, Fe(15) is bonded to one O(14), one O(2), one O(22), one O(23), one O(6), and one O(8) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 48-71°. The Fe(15)-O(14) bond length is 2.01 Å. The Fe(15)-O(2) bond length is 2.03 Å. The Fe(15)-O(22) bond length is 2.17 Å. The Fe(15)-O(23) bond length is 2.18 Å. The Fe(15)-O(6) bond length is 1.99 Å. The Fe(15)-O(8) bond length is 2.09 Å. In the sixteenth Fe site, Fe(16) is bonded to one O(16), one O(22), one O(23), one O(3), one O(6), and one O(8) atom to form a mixture of corner, edge, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. The Fe(16)-O(16) bond length is 1.99 Å. The Fe(16)-O(22) bond length is 2.06 Å. The Fe(16)-O(23) bond length is 2.13 Å. The Fe(16)-O(3) bond length is 2.00 Å. The Fe(16)-O(6) bond length is 1.96 Å. The Fe(16)-O(8) bond length is 2.10 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(14), one Fe(2), and one Fe(5) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the second O site, O(2) is bonded to one Fe(15), one Fe(3), one Fe(4), and one Fe(6) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the third O site, O(3) is bonded to one Fe(1), one Fe(16), one Fe(2), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the fourth O site, O(4) is bonded to one Fe(13), one Fe(3), one Fe(4), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the fifth O site, O(5) is bonded to one Fe(11), one Fe(13), one Fe(14), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Fe(10), one Fe(12), one Fe(15), and one Fe(16) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Fe(11), one Fe(13), one Fe(14), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the eighth O site, O(8) is bonded to one Fe(10), one Fe(12), one Fe(15), and one Fe(16) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the ninth O site, O(9) is bonded to one Fe(3), one Fe(6), one Fe(8), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(10), one Fe(5), and one Fe(7) atom. In the eleventh O site, O(11) is bonded to one Fe(11), one Fe(2), one Fe(5), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the twelfth O site, O(12) is bonded to one Fe(12), one Fe(4), one Fe(6), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the thirteenth O site, O(13) is bonded to one Fe(11), one Fe(14), one Fe(5), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the fourteenth O site, O(14) is bonded to one Fe(10), one Fe(12), one Fe(15), and one Fe(6) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the fifteenth O site, O(15) is bonded to one Fe(11), one Fe(13), one Fe(8), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the sixteenth O site, O(16) is bonded to one Fe(10), one Fe(12), one Fe(16), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Fe(3), one Fe(4), one Fe(6), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Fe(1), one Fe(2), one Fe(5), and one Fe(7) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the nineteenth O site, O(19) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(2), one Fe(5), and one Fe(7) atom. In the twentieth O site, O(20) is bonded to one Fe(3), one Fe(4), one Fe(6), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the twenty-first O site, O(21) is bonded to one Fe(13), one Fe(14), one Fe(3), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the twenty-second O site, O(22) is bonded to one Fe(1), one Fe(10), one Fe(15), and one Fe(16) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the twenty-third O site, O(23) is bonded to one Fe(12), one Fe(15), one Fe(16), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Fe(11), one Fe(13), one Fe(14), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra.