MgNb2V2O10 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. Nb(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form NbO5 trigonal bipyramids that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to four equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Nb(1)O5 trigonal bipyramids. In the second V site, V(2) is bonded to four equivalent O(3) atoms to form distorted VO4 tetrahedra that share corners with four equivalent Nb(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Nb(1) and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(1), and one V(2) atom.
MgNb2V2O10 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. All Mg(1)-O(3) bond lengths are 1.99 Å. Nb(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form NbO5 trigonal bipyramids that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. The Nb(1)-O(2) bond length is 1.76 Å. Both Nb(1)-O(1) bond lengths are 2.03 Å. Both Nb(1)-O(3) bond lengths are 2.01 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to four equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Nb(1)O5 trigonal bipyramids. All V(1)-O(1) bond lengths are 1.74 Å. In the second V site, V(2) is bonded to four equivalent O(3) atoms to form distorted VO4 tetrahedra that share corners with four equivalent Nb(1)O5 trigonal bipyramids. All V(2)-O(3) bond lengths are 1.91 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Nb(1) and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(1), and one V(2) atom.