AlV2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Al(2)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the third V site, V(3) 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 Al(1)O4 tetrahedra, corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the fifth V site, V(5) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Al(2)O4 tetrahedra, corners with four equivalent Al(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(6)O6 octahedra. In the sixth V site, V(6) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Al(1)O4 tetrahedra, corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the second Al site, Al(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(3), one V(4), one V(6), and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(3), one V(5), one V(6), and one Al(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(6), and one Al(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(6), and one Al(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(5), and one Al(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(4), and one Al(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(1), one V(5), one V(6), and one Al(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), one V(6), and one Al(2) atom.
AlV2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Al(2)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. Both V(1)-O(4) bond lengths are 2.05 Å. Both V(1)-O(5) bond lengths are 2.07 Å. Both V(1)-O(7) bond lengths are 2.11 Å. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. Both V(2)-O(3) bond lengths are 2.07 Å. Both V(2)-O(6) bond lengths are 2.09 Å. Both V(2)-O(8) bond lengths are 2.13 Å. In the third V site, V(3) 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 Al(1)O4 tetrahedra, corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The V(3)-O(1) bond length is 2.14 Å. The V(3)-O(2) bond length is 2.13 Å. The V(3)-O(3) bond length is 2.12 Å. The V(3)-O(4) bond length is 2.14 Å. The V(3)-O(5) bond length is 2.14 Å. The V(3)-O(6) bond length is 2.12 Å. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Al(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. Both V(4)-O(1) bond lengths are 2.04 Å. Both V(4)-O(6) bond lengths are 2.10 Å. Both V(4)-O(8) bond lengths are 2.10 Å. In the fifth V site, V(5) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Al(2)O4 tetrahedra, corners with four equivalent Al(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(6)O6 octahedra. Both V(5)-O(2) bond lengths are 2.08 Å. Both V(5)-O(5) bond lengths are 2.14 Å. Both V(5)-O(7) bond lengths are 2.11 Å. In the sixth V site, V(6) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Al(1)O4 tetrahedra, corners with three equivalent Al(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The V(6)-O(1) bond length is 2.13 Å. The V(6)-O(2) bond length is 2.10 Å. The V(6)-O(3) bond length is 2.14 Å. The V(6)-O(4) bond length is 2.14 Å. The V(6)-O(7) bond length is 2.11 Å. The V(6)-O(8) bond length is 2.14 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. The Al(1)-O(1) bond length is 1.81 Å. The Al(1)-O(3) bond length is 1.80 Å. The Al(1)-O(5) bond length is 1.81 Å. The Al(1)-O(7) bond length is 1.81 Å. In the second Al site, Al(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. The Al(2)-O(2) bond length is 1.80 Å. The Al(2)-O(4) bond length is 1.81 Å. The Al(2)-O(6) bond length is 1.83 Å. The Al(2)-O(8) bond length is 1.81 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(3), one V(4), one V(6), and one Al(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(3), one V(5), one V(6), and one Al(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(6), and one Al(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(6), and one Al(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(5), and one Al(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(4), and one Al(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(1), one V(5), one V(6), and one Al(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), one V(6), and one Al(2) atom.