MgV2Zn4O8 is Aluminum carbonitride-derived structured and crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-60°. V(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-69°. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-67°. In the third Zn site, Zn(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one V(1), one Zn(2), and two equivalent Zn(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent V(1), one Zn(2), and one Zn(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent V(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one V(1), one Zn(1), and two equivalent Zn(3) atoms to form a mixture of edge and corner-sharing OVZn3 tetrahedra.
MgV2Zn4O8 is Aluminum carbonitride-derived structured and crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-60°. Both Mg(1)-O(1) bond lengths are 2.03 Å. Both Mg(1)-O(3) bond lengths are 1.94 Å. V(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. The V(1)-O(1) bond length is 2.12 Å. The V(1)-O(4) bond length is 2.02 Å. Both V(1)-O(2) bond lengths are 2.11 Å. Both V(1)-O(3) bond lengths are 2.09 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-69°. Both Zn(1)-O(3) bond lengths are 2.17 Å. Both Zn(1)-O(4) bond lengths are 1.93 Å. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-67°. Both Zn(2)-O(1) bond lengths are 2.02 Å. Both Zn(2)-O(2) bond lengths are 2.06 Å. In the third Zn site, Zn(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. The Zn(3)-O(2) bond length is 1.95 Å. Both Zn(3)-O(1) bond lengths are 2.21 Å. Both Zn(3)-O(4) bond lengths are 2.03 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one V(1), one Zn(2), and two equivalent Zn(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent V(1), one Zn(2), and one Zn(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent V(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one V(1), one Zn(1), and two equivalent Zn(3) atoms to form a mixture of edge and corner-sharing OVZn3 tetrahedra.