MgV2(MoO5)2 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to four equivalent O(1) atoms to form MoO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one V(1) atom.
MgV2(MoO5)2 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. All Mg(1)-O(2) bond lengths are 2.00 Å. V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra. The V(1)-O(3) bond length is 1.64 Å. Both V(1)-O(1) bond lengths are 2.00 Å. Both V(1)-O(2) bond lengths are 2.00 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to four equivalent O(1) atoms to form MoO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. All Mo(1)-O(1) bond lengths are 1.79 Å. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. All Mo(2)-O(2) bond lengths are 1.95 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one V(1) atom.