MgV2ZnO6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-21°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. Zn(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Zn(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted corner-sharing OMg2V2Zn trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a water-like geometry to one Mg(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a square co-planar geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), and two equivalent V(1) atoms.
MgV2ZnO6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. The Mg(1)-O(3) bond length is 2.11 Å. The Mg(1)-O(4) bond length is 2.11 Å. The Mg(1)-O(5) bond length is 2.23 Å. The Mg(1)-O(6) bond length is 2.26 Å. Both Mg(1)-O(2) bond lengths are 1.99 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-21°. The V(1)-O(1) bond length is 1.77 Å. The V(1)-O(2) bond length is 2.39 Å. The V(1)-O(3) bond length is 1.85 Å. The V(1)-O(5) bond length is 2.12 Å. Both V(1)-O(6) bond lengths are 2.03 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. The V(2)-O(1) bond length is 2.25 Å. The V(2)-O(2) bond length is 2.02 Å. The V(2)-O(4) bond length is 1.69 Å. The V(2)-O(6) bond length is 1.98 Å. Both V(2)-O(5) bond lengths are 2.02 Å. Zn(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. The Zn(1)-O(1) bond length is 1.93 Å. The Zn(1)-O(2) bond length is 2.06 Å. Both Zn(1)-O(3) bond lengths are 2.18 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Zn(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted corner-sharing OMg2V2Zn trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a water-like geometry to one Mg(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a square co-planar geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), and two equivalent V(1) atoms.