NbVO5 crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent V(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. V(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-22°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one V(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Nb(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Nb(1) and one V(1) atom.
NbVO5 crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent V(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. The Nb(1)-O(2) bond length is 2.01 Å. The Nb(1)-O(4) bond length is 1.97 Å. Both Nb(1)-O(1) bond lengths are 1.92 Å. Both Nb(1)-O(3) bond lengths are 2.07 Å. V(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-22°. The V(1)-O(2) bond length is 1.72 Å. The V(1)-O(4) bond length is 1.74 Å. Both V(1)-O(3) bond lengths are 1.70 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one V(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Nb(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Nb(1) and one V(1) atom.