FeV2O4 is Spinel structured and crystallizes in the monoclinic Cm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the third V site, V(3) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second Fe site, Fe(2) is bonded to one O(5), one O(6), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Fe(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(2), and one Fe(2) atom.
FeV2O4 is Spinel structured and crystallizes in the monoclinic Cm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The V(1)-O(2) bond length is 2.14 Å. The V(1)-O(6) bond length is 2.10 Å. Both V(1)-O(1) bond lengths are 2.11 Å. Both V(1)-O(4) bond lengths are 2.14 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The V(2)-O(1) bond length is 2.05 Å. The V(2)-O(2) bond length is 2.10 Å. The V(2)-O(3) bond length is 2.06 Å. The V(2)-O(4) bond length is 2.04 Å. The V(2)-O(5) bond length is 2.06 Å. The V(2)-O(6) bond length is 2.11 Å. In the third V site, V(3) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The V(3)-O(3) bond length is 2.13 Å. The V(3)-O(5) bond length is 2.14 Å. Both V(3)-O(1) bond lengths are 2.14 Å. Both V(3)-O(4) bond lengths are 2.12 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. The Fe(1)-O(2) bond length is 1.93 Å. The Fe(1)-O(3) bond length is 1.97 Å. Both Fe(1)-O(4) bond lengths are 1.93 Å. In the second Fe site, Fe(2) is bonded to one O(5), one O(6), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. The Fe(2)-O(5) bond length is 1.97 Å. The Fe(2)-O(6) bond length is 1.93 Å. Both Fe(2)-O(1) bond lengths are 1.92 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Fe(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(2), and one Fe(2) atom.