MgNbV3O10 crystallizes in the tetragonal P-4m2 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. Nb(1) is bonded to four equivalent O(3) atoms to form distorted NbO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Nb(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. In the second V site, V(2) is bonded to four equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Nb(1), and one V(1) atom.
MgNbV3O10 crystallizes in the tetragonal P-4m2 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 2.05 Å. Nb(1) is bonded to four equivalent O(3) atoms to form distorted NbO4 tetrahedra that share corners with four equivalent V(1)O5 trigonal bipyramids. All Nb(1)-O(3) bond lengths are 1.88 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent Nb(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. The V(1)-O(2) bond length is 1.64 Å. Both V(1)-O(1) bond lengths are 1.95 Å. Both V(1)-O(3) bond lengths are 2.07 Å. In the second V site, V(2) is bonded to four equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. All V(2)-O(1) bond lengths are 1.75 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Nb(1), and one V(1) atom.