NbVO4 is Rutile-derived structured and crystallizes in the orthorhombic Cmmm space group. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with eight equivalent V(1)O6 octahedra and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with eight equivalent Nb(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one V(1) atom.
NbVO4 is Rutile-derived structured and crystallizes in the orthorhombic Cmmm space group. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with eight equivalent V(1)O6 octahedra and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Both Nb(1)-O(1) bond lengths are 2.00 Å. All Nb(1)-O(2) bond lengths are 2.02 Å. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with eight equivalent Nb(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Both V(1)-O(2) bond lengths are 2.02 Å. All V(1)-O(1) bond lengths are 2.00 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one V(1) atom.