FeV2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)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. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(4), and one Fe(1) atom. In the second O site, O(2) 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 third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(4), 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(4), and one Fe(1) atom.
FeV2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. Both V(1)-O(2) bond lengths are 2.13 Å. Both V(1)-O(3) bond lengths are 2.12 Å. Both V(1)-O(4) bond lengths are 2.14 Å. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. Both V(2)-O(1) bond lengths are 2.10 Å. Both V(2)-O(2) bond lengths are 2.08 Å. Both V(2)-O(4) bond lengths are 2.11 Å. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. Both V(3)-O(1) bond lengths are 2.10 Å. Both V(3)-O(2) bond lengths are 2.09 Å. Both V(3)-O(3) bond lengths are 2.11 Å. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)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. Both V(4)-O(1) bond lengths are 2.05 Å. Both V(4)-O(3) bond lengths are 2.06 Å. Both V(4)-O(4) bond lengths are 2.06 Å. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. The Fe(1)-O(1) bond length is 1.97 Å. The Fe(1)-O(2) bond length is 1.92 Å. The Fe(1)-O(3) bond length is 1.93 Å. The Fe(1)-O(4) bond length is 1.92 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(4), and one Fe(1) atom. In the second O site, O(2) 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 third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(4), 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(4), and one Fe(1) atom.