AlVO3 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra and corners with eight equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with eight equivalent V(1)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-81°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent V(1) and one Al(1) atom. In the second O site, O(2) is bonded to two equivalent V(1) and two equivalent Al(1) atoms to form distorted corner-sharing OAl2V2 tetrahedra.
AlVO3 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra and corners with eight equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. Both V(1)-O(2) bond lengths are 2.21 Å. There are two shorter (1.96 Å) and two longer (2.05 Å) V(1)-O(1) bond lengths. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with eight equivalent V(1)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-81°. Both Al(1)-O(1) bond lengths are 1.81 Å. There is one shorter (1.86 Å) and one longer (1.88 Å) Al(1)-O(2) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent V(1) and one Al(1) atom. In the second O site, O(2) is bonded to two equivalent V(1) and two equivalent Al(1) atoms to form distorted corner-sharing OAl2V2 tetrahedra.