V3Zn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second V site, V(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second As site, As(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(2), and one As(2) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one Zn(2), and one As(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one V(1), one Zn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a trigonal non-coplanar geometry to one V(1), one Zn(2), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one Zn(1), and one As(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(2) and one As(1) atom.
V3Zn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. The V(1)-O(1) bond length is 2.00 Å. The V(1)-O(2) bond length is 1.92 Å. The V(1)-O(4) bond length is 2.04 Å. The V(1)-O(5) bond length is 1.89 Å. The V(1)-O(7) bond length is 2.18 Å. The V(1)-O(8) bond length is 2.53 Å. In the second V site, V(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. Both V(2)-O(5) bond lengths are 1.92 Å. Both V(2)-O(7) bond lengths are 2.03 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. The Zn(1)-O(1) bond length is 2.01 Å. The Zn(1)-O(3) bond length is 1.93 Å. The Zn(1)-O(4) bond length is 2.16 Å. The Zn(1)-O(5) bond length is 2.06 Å. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. Both Zn(2)-O(2) bond lengths are 2.12 Å. Both Zn(2)-O(6) bond lengths are 2.07 Å. Both Zn(2)-O(8) bond lengths are 2.19 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. The As(1)-O(1) bond length is 1.81 Å. The As(1)-O(4) bond length is 1.74 Å. The As(1)-O(6) bond length is 1.69 Å. The As(1)-O(8) bond length is 1.72 Å. In the second As site, As(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(7) atom. The As(2)-O(2) bond length is 1.85 Å. The As(2)-O(3) bond length is 1.73 Å. The As(2)-O(7) bond length is 1.93 Å. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a trigonal planar geometry to one V(1), one V(2), and one As(2) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one Zn(2), and one As(1) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one V(1), one Zn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a trigonal non-coplanar geometry to one V(1), one Zn(2), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one Zn(1), and one As(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Zn(1) atom. In the eighth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(2) and one As(1) atom.