TaVO5 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(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(1), one O(2), and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with four equivalent Ta(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 bent 150 degrees geometry to one Ta(1) and one V(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one V(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one Ta(1) and one V(1) atom.
TaVO5 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent V(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. The Ta(1)-O(1) bond length is 1.99 Å. The Ta(1)-O(2) bond length is 1.96 Å. Both Ta(1)-O(3) bond lengths are 1.91 Å. Both Ta(1)-O(4) bond lengths are 2.05 Å. V(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-22°. The V(1)-O(1) bond length is 1.72 Å. The V(1)-O(2) bond length is 1.73 Å. Both V(1)-O(4) bond lengths are 1.70 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one V(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one V(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one Ta(1) and one V(1) atom.