MgV4O10 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent V(2) atoms to form OMg2V2 tetrahedra that share corners with two equivalent O(1)Mg2V2 tetrahedra and edges with four equivalent O(4)MgV3 trigonal pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one V(1), and two equivalent V(2) atoms to form distorted OMgV3 trigonal pyramids that share corners with three equivalent O(4)MgV3 trigonal pyramids and edges with two equivalent O(1)Mg2V2 tetrahedra. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Mg(1) and one V(2) atom.
MgV4O10 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(6) atoms. Both Mg(1)-O(1) bond lengths are 2.10 Å. Both Mg(1)-O(4) bond lengths are 2.39 Å. All Mg(1)-O(6) bond lengths are 2.55 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. The V(1)-O(2) bond length is 1.81 Å. The V(1)-O(4) bond length is 2.08 Å. The V(1)-O(5) bond length is 1.61 Å. Both V(1)-O(3) bond lengths are 1.90 Å. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. The V(2)-O(1) bond length is 1.96 Å. The V(2)-O(3) bond length is 2.01 Å. The V(2)-O(6) bond length is 1.68 Å. Both V(2)-O(4) bond lengths are 1.95 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent V(2) atoms to form OMg2V2 tetrahedra that share corners with two equivalent O(1)Mg2V2 tetrahedra and edges with four equivalent O(4)MgV3 trigonal pyramids. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one V(1), and two equivalent V(2) atoms to form distorted OMgV3 trigonal pyramids that share corners with three equivalent O(4)MgV3 trigonal pyramids and edges with two equivalent O(1)Mg2V2 tetrahedra. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Mg(1) and one V(2) atom.