VOPO4 crystallizes in the orthorhombic Fdd2 space group. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-56°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom.
VOPO4 crystallizes in the orthorhombic Fdd2 space group. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. The V(1)-O(1) bond length is 1.95 Å. The V(1)-O(3) bond length is 1.93 Å. The V(1)-O(4) bond length is 1.98 Å. The V(1)-O(5) bond length is 1.93 Å. There is one shorter (1.64 Å) and one longer (2.14 Å) V(1)-O(2) bond length. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-56°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.56 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom.