MgV3Zn2O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(3)O6 octahedra,  a cornercorner with one Zn(2)O5 square pyramid,  an edgeedge with one Zn(2)O5 square pyramid,  a faceface with one V(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. There are three 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), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(2)O5 square pyramids, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(2)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the third V site, V(3) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with two equivalent Zn(2)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Zn(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-52°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(7) atom. In the second Zn site, Zn(2) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted ZnO5 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-81°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one V(2), and one V(3) atom to form OMgV3 trigonal pyramids that share  a cornercorner with one O(5)MgV2Zn2 trigonal bipyramid,  a cornercorner with one O(2)MgV2Zn trigonal pyramid,  a cornercorner with one O(3)MgV2Zn trigonal pyramid, corners with two equivalent O(4)V2Zn2 trigonal pyramids, corners with four equivalent O(6)MgV3 trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid,  an edgeedge with one O(2)MgV2Zn trigonal pyramid,  an edgeedge with one O(3)MgV2Zn trigonal pyramid, and  an edgeedge with one O(7)V2Zn2 trigonal pyramid. In the second O site, O(2) is bonded to one Mg(1), one V(1), one V(2), and one Zn(2) atom to form distorted OMgV2Zn trigonal pyramids that share  a cornercorner with one O(5)MgV2Zn2 trigonal bipyramid,  a cornercorner with one O(1)MgV3 trigonal pyramid,  a cornercorner with one O(6)MgV3 trigonal pyramid, corners with two equivalent O(4)V2Zn2 trigonal pyramids, corners with two equivalent O(7)V2Zn2 trigonal pyramids, corners with three equivalent O(3)MgV2Zn trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid,  an edgeedge with one O(1)MgV3 trigonal pyramid, and  an edgeedge with one O(6)MgV3 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted OMgV2Zn trigonal pyramids that share  a cornercorner with one O(5)MgV2Zn2 trigonal bipyramid,  a cornercorner with one O(1)MgV3 trigonal pyramid,  a cornercorner with one O(6)MgV3 trigonal pyramid, corners with two equivalent O(4)V2Zn2 trigonal pyramids, corners with two equivalent O(7)V2Zn2 trigonal pyramids, corners with three equivalent O(2)MgV2Zn trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid,  an edgeedge with one O(1)MgV3 trigonal pyramid, and  an edgeedge with one O(6)MgV3 trigonal pyramid. In the fourth O site, O(4) is bonded to one V(2), one V(3), one Zn(1), and one Zn(2) atom to form distorted OV2Zn2 trigonal pyramids that share  a cornercorner with one O(5)MgV2Zn2 trigonal bipyramid, corners with two equivalent O(2)MgV2Zn trigonal pyramids, corners with two equivalent O(3)MgV2Zn trigonal pyramids, corners with two equivalent O(1)MgV3 trigonal pyramids, corners with three equivalent O(7)V2Zn2 trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid, and  an edgeedge with one O(6)MgV3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Mg(1), one V(1), one V(3), one Zn(1), and one Zn(2) atom to form distorted OMgV2Zn2 trigonal bipyramids that share  a cornercorner with one O(2)MgV2Zn trigonal pyramid,  a cornercorner with one O(3)MgV2Zn trigonal pyramid,  a cornercorner with one O(1)MgV3 trigonal pyramid,  a cornercorner with one O(6)MgV3 trigonal pyramid,  a cornercorner with one O(4)V2Zn2 trigonal pyramid, corners with two equivalent O(7)V2Zn2 trigonal pyramids,  an edgeedge with one O(2)MgV2Zn trigonal pyramid,  an edgeedge with one O(3)MgV2Zn trigonal pyramid,  an edgeedge with one O(1)MgV3 trigonal pyramid,  an edgeedge with one O(6)MgV3 trigonal pyramid,  an edgeedge with one O(4)V2Zn2 trigonal pyramid, and  an edgeedge with one O(7)V2Zn2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Mg(1), one V(1), one V(2), and one V(3) atom to form OMgV3 trigonal pyramids that share  a cornercorner with one O(5)MgV2Zn2 trigonal bipyramid,  a cornercorner with one O(2)MgV2Zn trigonal pyramid,  a cornercorner with one O(3)MgV2Zn trigonal pyramid, corners with two equivalent O(7)V2Zn2 trigonal pyramids, corners with four equivalent O(1)MgV3 trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid,  an edgeedge with one O(2)MgV2Zn trigonal pyramid,  an edgeedge with one O(3)MgV2Zn trigonal pyramid, and  an edgeedge with one O(4)V2Zn2 trigonal pyramid. In the seventh O site, O(7) is bonded to one V(1), one V(3), one Zn(1), and one Zn(2) atom to form distorted OV2Zn2 trigonal pyramids that share corners with two equivalent O(5)MgV2Zn2 trigonal bipyramids, corners with two equivalent O(2)MgV2Zn trigonal pyramids, corners with two equivalent O(3)MgV2Zn trigonal pyramids, corners with two equivalent O(6)MgV3 trigonal pyramids, corners with three equivalent O(4)V2Zn2 trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid, and  an edgeedge with one O(1)MgV3 trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one V(2), one V(3), and one Zn(2) atom.
MgV3Zn2O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(3)O6 octahedra,  a cornercorner with one Zn(2)O5 square pyramid,  an edgeedge with one Zn(2)O5 square pyramid,  a faceface with one V(1)O6 octahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. The Mg(1)-O(1) bond length is 2.02 Å. The Mg(1)-O(2) bond length is 2.10 Å. The Mg(1)-O(3) bond length is 2.05 Å. The Mg(1)-O(5) bond length is 2.21 Å. The Mg(1)-O(6) bond length is 2.08 Å. The Mg(1)-O(8) bond length is 2.16 Å. There are three 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), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(2)O5 square pyramids, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. The V(1)-O(1) bond length is 2.09 Å. The V(1)-O(2) bond length is 1.85 Å. The V(1)-O(3) bond length is 1.98 Å. The V(1)-O(5) bond length is 2.16 Å. The V(1)-O(6) bond length is 1.96 Å. The V(1)-O(7) bond length is 1.98 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(2)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The V(2)-O(1) bond length is 1.98 Å. The V(2)-O(2) bond length is 2.18 Å. The V(2)-O(3) bond length is 2.01 Å. The V(2)-O(4) bond length is 1.98 Å. The V(2)-O(6) bond length is 2.10 Å. The V(2)-O(8) bond length is 2.14 Å. In the third V site, V(3) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with two equivalent Zn(2)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Zn(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-52°. The V(3)-O(1) bond length is 2.06 Å. The V(3)-O(4) bond length is 2.05 Å. The V(3)-O(5) bond length is 2.12 Å. The V(3)-O(6) bond length is 2.08 Å. The V(3)-O(7) bond length is 2.05 Å. The V(3)-O(8) bond length is 2.05 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(7) atom. The Zn(1)-O(3) bond length is 1.97 Å. The Zn(1)-O(4) bond length is 1.99 Å. The Zn(1)-O(5) bond length is 1.96 Å. The Zn(1)-O(7) bond length is 2.23 Å. In the second Zn site, Zn(2) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted ZnO5 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-81°. The Zn(2)-O(2) bond length is 2.04 Å. The Zn(2)-O(4) bond length is 2.18 Å. The Zn(2)-O(5) bond length is 2.35 Å. The Zn(2)-O(7) bond length is 2.05 Å. The Zn(2)-O(8) bond length is 1.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one V(2), and one V(3) atom to form OMgV3 trigonal pyramids that share  a cornercorner with one O(5)MgV2Zn2 trigonal bipyramid,  a cornercorner with one O(2)MgV2Zn trigonal pyramid,  a cornercorner with one O(3)MgV2Zn trigonal pyramid, corners with two equivalent O(4)V2Zn2 trigonal pyramids, corners with four equivalent O(6)MgV3 trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid,  an edgeedge with one O(2)MgV2Zn trigonal pyramid,  an edgeedge with one O(3)MgV2Zn trigonal pyramid, and  an edgeedge with one O(7)V2Zn2 trigonal pyramid. In the second O site, O(2) is bonded to one Mg(1), one V(1), one V(2), and one Zn(2) atom to form distorted OMgV2Zn trigonal pyramids that share  a cornercorner with one O(5)MgV2Zn2 trigonal bipyramid,  a cornercorner with one O(1)MgV3 trigonal pyramid,  a cornercorner with one O(6)MgV3 trigonal pyramid, corners with two equivalent O(4)V2Zn2 trigonal pyramids, corners with two equivalent O(7)V2Zn2 trigonal pyramids, corners with three equivalent O(3)MgV2Zn trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid,  an edgeedge with one O(1)MgV3 trigonal pyramid, and  an edgeedge with one O(6)MgV3 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted OMgV2Zn trigonal pyramids that share  a cornercorner with one O(5)MgV2Zn2 trigonal bipyramid,  a cornercorner with one O(1)MgV3 trigonal pyramid,  a cornercorner with one O(6)MgV3 trigonal pyramid, corners with two equivalent O(4)V2Zn2 trigonal pyramids, corners with two equivalent O(7)V2Zn2 trigonal pyramids, corners with three equivalent O(2)MgV2Zn trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid,  an edgeedge with one O(1)MgV3 trigonal pyramid, and  an edgeedge with one O(6)MgV3 trigonal pyramid. In the fourth O site, O(4) is bonded to one V(2), one V(3), one Zn(1), and one Zn(2) atom to form distorted OV2Zn2 trigonal pyramids that share  a cornercorner with one O(5)MgV2Zn2 trigonal bipyramid, corners with two equivalent O(2)MgV2Zn trigonal pyramids, corners with two equivalent O(3)MgV2Zn trigonal pyramids, corners with two equivalent O(1)MgV3 trigonal pyramids, corners with three equivalent O(7)V2Zn2 trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid, and  an edgeedge with one O(6)MgV3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Mg(1), one V(1), one V(3), one Zn(1), and one Zn(2) atom to form distorted OMgV2Zn2 trigonal bipyramids that share  a cornercorner with one O(2)MgV2Zn trigonal pyramid,  a cornercorner with one O(3)MgV2Zn trigonal pyramid,  a cornercorner with one O(1)MgV3 trigonal pyramid,  a cornercorner with one O(6)MgV3 trigonal pyramid,  a cornercorner with one O(4)V2Zn2 trigonal pyramid, corners with two equivalent O(7)V2Zn2 trigonal pyramids,  an edgeedge with one O(2)MgV2Zn trigonal pyramid,  an edgeedge with one O(3)MgV2Zn trigonal pyramid,  an edgeedge with one O(1)MgV3 trigonal pyramid,  an edgeedge with one O(6)MgV3 trigonal pyramid,  an edgeedge with one O(4)V2Zn2 trigonal pyramid, and  an edgeedge with one O(7)V2Zn2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Mg(1), one V(1), one V(2), and one V(3) atom to form OMgV3 trigonal pyramids that share  a cornercorner with one O(5)MgV2Zn2 trigonal bipyramid,  a cornercorner with one O(2)MgV2Zn trigonal pyramid,  a cornercorner with one O(3)MgV2Zn trigonal pyramid, corners with two equivalent O(7)V2Zn2 trigonal pyramids, corners with four equivalent O(1)MgV3 trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid,  an edgeedge with one O(2)MgV2Zn trigonal pyramid,  an edgeedge with one O(3)MgV2Zn trigonal pyramid, and  an edgeedge with one O(4)V2Zn2 trigonal pyramid. In the seventh O site, O(7) is bonded to one V(1), one V(3), one Zn(1), and one Zn(2) atom to form distorted OV2Zn2 trigonal pyramids that share corners with two equivalent O(5)MgV2Zn2 trigonal bipyramids, corners with two equivalent O(2)MgV2Zn trigonal pyramids, corners with two equivalent O(3)MgV2Zn trigonal pyramids, corners with two equivalent O(6)MgV3 trigonal pyramids, corners with three equivalent O(4)V2Zn2 trigonal pyramids,  an edgeedge with one O(5)MgV2Zn2 trigonal bipyramid, and  an edgeedge with one O(1)MgV3 trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one V(2), one V(3), and one Zn(2) atom.