V2Zn(PO5)2 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 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 45°. Zn(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(5) atoms. 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 36-63°. 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(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one Zn(1), and one P(1) atom. 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 trigonal planar geometry to one V(1), one Zn(1), and one P(1) atom.
V2Zn(PO5)2 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 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 45°. The V(1)-O(1) bond length is 1.99 Å. The V(1)-O(3) bond length is 2.17 Å. The V(1)-O(4) bond length is 2.00 Å. The V(1)-O(5) bond length is 2.08 Å. There is one shorter (1.72 Å) and one longer (1.91 Å) V(1)-O(2) bond length. Zn(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(5) atoms. Both Zn(1)-O(3) bond lengths are 2.17 Å. Both Zn(1)-O(5) bond lengths are 2.29 Å. 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 36-63°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.58 Å. The P(1)-O(4) bond length is 1.53 Å. The P(1)-O(5) bond length is 1.58 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(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one Zn(1), and one P(1) atom. 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 trigonal planar geometry to one V(1), one Zn(1), and one P(1) atom.