V3Zn2O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing VO6 octahedra. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing VO6 octahedra. Zn(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Zn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2) and two equivalent V(1) atoms. In the third O site, O(3) is bonded to one V(1), one V(2), and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OV2Zn2 trigonal pyramids.
V3Zn2O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing VO6 octahedra. Both V(1)-O(1) bond lengths are 1.91 Å. Both V(1)-O(2) bond lengths are 2.06 Å. Both V(1)-O(3) bond lengths are 1.94 Å. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing VO6 octahedra. Both V(2)-O(2) bond lengths are 1.85 Å. All V(2)-O(3) bond lengths are 2.03 Å. Zn(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(3) atoms. The Zn(1)-O(1) bond length is 1.97 Å. There are two shorter (2.10 Å) and two longer (2.16 Å) Zn(1)-O(3) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Zn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2) and two equivalent V(1) atoms. In the third O site, O(3) is bonded to one V(1), one V(2), and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OV2Zn2 trigonal pyramids.