Fe3O4 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(14), one O(2), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(15), one O(2), one O(3), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Fe(7)O4 tetrahedra, corners with three equivalent Fe(8)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(12), one O(14), one O(16), one O(2), one O(4), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and edges with two equivalent Fe(12)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(11), one O(14), and one O(7) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the seventh Fe site, Fe(7) is bonded to one O(12), one O(13), one O(2), and one O(8) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the eighth Fe site, Fe(8) is bonded to one O(15), one O(3), one O(6), and one O(9) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-60°. In the ninth Fe site, Fe(9) is bonded to one O(10), one O(16), one O(4), and one O(5) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-61°. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(13), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(12)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the eleventh Fe site, Fe(11) is bonded to one O(1), one O(10), one O(11), one O(16), one O(4), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Fe(6)O4 tetrahedra, corners with three equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. In the twelfth Fe site, Fe(12) is bonded to one O(1), one O(11), one O(13), one O(15), one O(3), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(11), one Fe(12), and one Fe(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(2), and one Fe(8) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(11), one Fe(3), and one Fe(9) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(4), and one Fe(9) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(3), one Fe(5), and one Fe(8) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(11), one Fe(4), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(5), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(2), one Fe(4), and one Fe(8) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(11), one Fe(5), and one Fe(9) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(12), one Fe(4), and one Fe(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal pyramidal geometry to one Fe(2), one Fe(3), one Fe(5), and one Fe(7) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(4), and one Fe(7) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Fe(12), one Fe(2), one Fe(4), and one Fe(8) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(3), one Fe(5), and one Fe(9) atom.
Fe3O4 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(14), one O(2), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The Fe(1)-O(10) bond length is 2.07 Å. The Fe(1)-O(14) bond length is 2.15 Å. The Fe(1)-O(2) bond length is 2.16 Å. The Fe(1)-O(4) bond length is 2.13 Å. The Fe(1)-O(6) bond length is 2.16 Å. The Fe(1)-O(8) bond length is 2.11 Å. In the second Fe site, Fe(2) is bonded to one O(12), one O(15), one O(2), one O(3), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Fe(7)O4 tetrahedra, corners with three equivalent Fe(8)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The Fe(2)-O(12) bond length is 2.10 Å. The Fe(2)-O(15) bond length is 2.02 Å. The Fe(2)-O(2) bond length is 2.07 Å. The Fe(2)-O(3) bond length is 2.00 Å. The Fe(2)-O(8) bond length is 2.08 Å. The Fe(2)-O(9) bond length is 2.03 Å. In the third Fe site, Fe(3) is bonded to one O(12), one O(14), one O(16), one O(2), one O(4), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The Fe(3)-O(12) bond length is 2.08 Å. The Fe(3)-O(14) bond length is 2.05 Å. The Fe(3)-O(16) bond length is 2.04 Å. The Fe(3)-O(2) bond length is 2.06 Å. The Fe(3)-O(4) bond length is 2.01 Å. The Fe(3)-O(6) bond length is 2.06 Å. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and edges with two equivalent Fe(12)O6 octahedra. The Fe(4)-O(11) bond length is 2.03 Å. The Fe(4)-O(13) bond length is 2.06 Å. The Fe(4)-O(15) bond length is 2.13 Å. The Fe(4)-O(5) bond length is 2.05 Å. The Fe(4)-O(7) bond length is 2.02 Å. The Fe(4)-O(9) bond length is 2.12 Å. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(6)O4 tetrahedra,  a cornercorner with one Fe(8)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The Fe(5)-O(10) bond length is 2.03 Å. The Fe(5)-O(12) bond length is 2.11 Å. The Fe(5)-O(14) bond length is 2.05 Å. The Fe(5)-O(16) bond length is 2.04 Å. The Fe(5)-O(6) bond length is 2.07 Å. The Fe(5)-O(8) bond length is 2.09 Å. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(11), one O(14), and one O(7) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. The Fe(6)-O(1) bond length is 1.89 Å. The Fe(6)-O(11) bond length is 1.92 Å. The Fe(6)-O(14) bond length is 1.96 Å. The Fe(6)-O(7) bond length is 1.92 Å. In the seventh Fe site, Fe(7) is bonded to one O(12), one O(13), one O(2), and one O(8) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. The Fe(7)-O(12) bond length is 1.99 Å. The Fe(7)-O(13) bond length is 1.90 Å. The Fe(7)-O(2) bond length is 1.92 Å. The Fe(7)-O(8) bond length is 1.96 Å. In the eighth Fe site, Fe(8) is bonded to one O(15), one O(3), one O(6), and one O(9) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-60°. The Fe(8)-O(15) bond length is 1.94 Å. The Fe(8)-O(3) bond length is 1.91 Å. The Fe(8)-O(6) bond length is 1.94 Å. The Fe(8)-O(9) bond length is 1.94 Å. In the ninth Fe site, Fe(9) is bonded to one O(10), one O(16), one O(4), and one O(5) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-61°. The Fe(9)-O(10) bond length is 1.94 Å. The Fe(9)-O(16) bond length is 1.96 Å. The Fe(9)-O(4) bond length is 1.91 Å. The Fe(9)-O(5) bond length is 1.91 Å. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(13), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(12)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The Fe(10)-O(1) bond length is 2.11 Å. The Fe(10)-O(13) bond length is 2.16 Å. The Fe(10)-O(3) bond length is 2.16 Å. The Fe(10)-O(5) bond length is 2.15 Å. The Fe(10)-O(7) bond length is 2.12 Å. The Fe(10)-O(9) bond length is 2.16 Å. In the eleventh Fe site, Fe(11) is bonded to one O(1), one O(10), one O(11), one O(16), one O(4), and one O(7) atom to form FeO6 octahedra that share corners with three equivalent Fe(6)O4 tetrahedra, corners with three equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The Fe(11)-O(1) bond length is 2.09 Å. The Fe(11)-O(10) bond length is 2.18 Å. The Fe(11)-O(11) bond length is 2.15 Å. The Fe(11)-O(16) bond length is 2.21 Å. The Fe(11)-O(4) bond length is 2.14 Å. The Fe(11)-O(7) bond length is 2.16 Å. In the twelfth Fe site, Fe(12) is bonded to one O(1), one O(11), one O(13), one O(15), one O(3), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Fe(8)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The Fe(12)-O(1) bond length is 2.11 Å. The Fe(12)-O(11) bond length is 2.14 Å. The Fe(12)-O(13) bond length is 2.16 Å. The Fe(12)-O(15) bond length is 2.18 Å. The Fe(12)-O(3) bond length is 2.16 Å. The Fe(12)-O(5) bond length is 2.15 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(11), one Fe(12), and one Fe(6) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(2), and one Fe(8) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(11), one Fe(3), and one Fe(9) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(4), and one Fe(9) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(3), one Fe(5), and one Fe(8) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(11), one Fe(4), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(5), and one Fe(7) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(2), one Fe(4), and one Fe(8) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(11), one Fe(5), and one Fe(9) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(12), one Fe(4), and one Fe(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal pyramidal geometry to one Fe(2), one Fe(3), one Fe(5), and one Fe(7) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(4), and one Fe(7) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(3), one Fe(5), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Fe(12), one Fe(2), one Fe(4), and one Fe(8) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(3), one Fe(5), and one Fe(9) atom.