AlVO4 crystallizes in the triclinic P-1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), and one O(2) atom to form VO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with two equivalent Al(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-59°. In the second V site, V(2) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent Al(3)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, and  a cornercorner with one Al(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-60°. In the third V site, V(3) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with two equivalent Al(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-53°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the second Al site, Al(2) is bonded to one O(11), one O(12), one O(2), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. In the third Al site, Al(3) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a distorted trigonal planar geometry to one V(2), one Al(1), and one Al(2) atom. In the second O site, O(12) is bonded in a distorted trigonal planar geometry to one V(1), one Al(1), and one Al(2) atom. In the third O site, O(1) is bonded in a linear geometry to one V(1) and one Al(3) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Al(2), and one Al(3) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent Al(3) atoms. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one V(3) and one Al(3) atom. In the seventh O site, O(5) is bonded in a trigonal planar geometry to one V(3), one Al(2), and one Al(3) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one Al(2) atom. In the ninth O site, O(7) is bonded in a linear geometry to one V(3) and one Al(1) atom. In the tenth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Al(1) atom. In the eleventh O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one Al(1) atom. In the twelfth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one Al(1) atom.
AlVO4 crystallizes in the triclinic P-1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), and one O(2) atom to form VO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with two equivalent Al(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-59°. The V(1)-O(1) bond length is 1.66 Å. The V(1)-O(10) bond length is 1.65 Å. The V(1)-O(12) bond length is 1.78 Å. The V(1)-O(2) bond length is 1.79 Å. In the second V site, V(2) is bonded to one O(11), one O(3), one O(8), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent Al(3)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, and  a cornercorner with one Al(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-60°. The V(2)-O(11) bond length is 1.79 Å. The V(2)-O(3) bond length is 1.78 Å. The V(2)-O(8) bond length is 1.66 Å. The V(2)-O(9) bond length is 1.68 Å. In the third V site, V(3) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with two equivalent Al(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-53°. The V(3)-O(4) bond length is 1.68 Å. The V(3)-O(5) bond length is 1.81 Å. The V(3)-O(6) bond length is 1.72 Å. The V(3)-O(7) bond length is 1.68 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. The Al(1)-O(10) bond length is 1.88 Å. The Al(1)-O(11) bond length is 1.93 Å. The Al(1)-O(12) bond length is 1.93 Å. The Al(1)-O(7) bond length is 1.88 Å. The Al(1)-O(8) bond length is 1.86 Å. The Al(1)-O(9) bond length is 1.87 Å. In the second Al site, Al(2) is bonded to one O(11), one O(12), one O(2), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. The Al(2)-O(11) bond length is 1.85 Å. The Al(2)-O(12) bond length is 1.85 Å. The Al(2)-O(2) bond length is 1.89 Å. The Al(2)-O(5) bond length is 1.83 Å. The Al(2)-O(6) bond length is 1.78 Å. In the third Al site, Al(3) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. The Al(3)-O(1) bond length is 1.86 Å. The Al(3)-O(2) bond length is 1.88 Å. The Al(3)-O(4) bond length is 1.85 Å. The Al(3)-O(5) bond length is 1.96 Å. There is one shorter (1.84 Å) and one longer (1.99 Å) Al(3)-O(3) bond length. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a distorted trigonal planar geometry to one V(2), one Al(1), and one Al(2) atom. In the second O site, O(12) is bonded in a distorted trigonal planar geometry to one V(1), one Al(1), and one Al(2) atom. In the third O site, O(1) is bonded in a linear geometry to one V(1) and one Al(3) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one Al(2), and one Al(3) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent Al(3) atoms. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one V(3) and one Al(3) atom. In the seventh O site, O(5) is bonded in a trigonal planar geometry to one V(3), one Al(2), and one Al(3) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one Al(2) atom. In the ninth O site, O(7) is bonded in a linear geometry to one V(3) and one Al(1) atom. In the tenth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Al(1) atom. In the eleventh O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one Al(1) atom. In the twelfth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one Al(1) atom.