MgV3Zn2O8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are three 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(4) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. Zn(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one V(3), and two equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OMgV2Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(3), and one Zn(1) atom.
MgV3Zn2O8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. Both Mg(1)-O(2) bond lengths are 2.07 Å. Both Mg(1)-O(3) bond lengths are 2.09 Å. Both Mg(1)-O(4) bond lengths are 2.05 Å. There are three 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(4) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. Both V(1)-O(1) bond lengths are 2.05 Å. Both V(1)-O(2) bond lengths are 1.86 Å. Both V(1)-O(4) bond lengths are 2.04 Å. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. Both V(2)-O(1) bond lengths are 2.08 Å. Both V(2)-O(2) bond lengths are 1.97 Å. Both V(2)-O(3) bond lengths are 2.18 Å. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. Both V(3)-O(1) bond lengths are 2.09 Å. Both V(3)-O(3) bond lengths are 2.06 Å. Both V(3)-O(4) bond lengths are 2.04 Å. Zn(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), and two equivalent O(3) atoms. The Zn(1)-O(1) bond length is 1.99 Å. The Zn(1)-O(4) bond length is 1.99 Å. There is one shorter (2.12 Å) and one longer (2.16 Å) Zn(1)-O(3) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one V(3), and two equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OMgV2Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(3), and one Zn(1) atom.