NbVO4 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 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 distorted NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra and edges with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to two equivalent Nb(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent V(1) atoms.
NbVO4 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 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 distorted NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. The Nb(1)-O(2) bond length is 2.01 Å. The Nb(1)-O(4) bond length is 2.02 Å. There is one shorter (1.94 Å) and one longer (2.10 Å) Nb(1)-O(1) bond length. There is one shorter (1.97 Å) and one longer (2.05 Å) Nb(1)-O(3) bond length. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with four equivalent V(1)O6 octahedra and edges with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. The V(1)-O(1) bond length is 2.10 Å. The V(1)-O(3) bond length is 2.12 Å. There is one shorter (2.02 Å) and one longer (2.06 Å) V(1)-O(2) bond length. There is one shorter (2.01 Å) and one longer (2.04 Å) V(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to two equivalent Nb(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent V(1) atoms.