V2Zn(PO4)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(6), one O(7), and two equivalent O(3) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 14°. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Zn(1) is bonded to one O(1), one O(2), one O(6), and two equivalent O(8) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 58-65°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with three equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-59°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-79°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(2), two equivalent V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(1), one V(3), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom.
V2Zn(PO4)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(6), one O(7), and two equivalent O(3) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 14°. The V(1)-O(2) bond length is 2.14 Å. The V(1)-O(4) bond length is 2.10 Å. The V(1)-O(6) bond length is 2.20 Å. The V(1)-O(7) bond length is 2.16 Å. There is one shorter (2.29 Å) and one longer (2.54 Å) V(1)-O(3) bond length. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Both V(2)-O(1) bond lengths are 2.20 Å. Both V(2)-O(3) bond lengths are 2.51 Å. Both V(2)-O(4) bond lengths are 2.08 Å. In the third V site, V(3) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Both V(3)-O(5) bond lengths are 2.08 Å. Both V(3)-O(6) bond lengths are 2.69 Å. Both V(3)-O(7) bond lengths are 2.08 Å. Zn(1) is bonded to one O(1), one O(2), one O(6), and two equivalent O(8) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 58-65°. The Zn(1)-O(1) bond length is 2.11 Å. The Zn(1)-O(2) bond length is 2.15 Å. The Zn(1)-O(6) bond length is 2.14 Å. There is one shorter (2.05 Å) and one longer (2.34 Å) Zn(1)-O(8) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with three equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-59°. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.55 Å. The P(1)-O(8) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-79°. The P(2)-O(2) bond length is 1.56 Å. The P(2)-O(3) bond length is 1.58 Å. The P(2)-O(5) bond length is 1.52 Å. The P(2)-O(6) bond length is 1.57 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(2), two equivalent V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(1), one V(3), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom.