MgNbVO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Nb(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Mg(1), two equivalent Nb(1), and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Nb(1), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OMg2NbV2 square pyramids. In the third O site, O(3) is bonded in a square co-planar geometry to one Mg(1), two equivalent Nb(1), and one V(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Nb(1), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OMg2NbV2 square pyramids.
MgNbVO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with four equivalent Nb(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. The Mg(1)-O(1) bond length is 2.21 Å. The Mg(1)-O(3) bond length is 2.19 Å. Both Mg(1)-O(2) bond lengths are 2.10 Å. Both Mg(1)-O(4) bond lengths are 2.10 Å. Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. The Nb(1)-O(2) bond length is 2.13 Å. The Nb(1)-O(4) bond length is 2.13 Å. Both Nb(1)-O(1) bond lengths are 2.09 Å. Both Nb(1)-O(3) bond lengths are 2.10 Å. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. The V(1)-O(1) bond length is 2.30 Å. The V(1)-O(3) bond length is 2.26 Å. Both V(1)-O(2) bond lengths are 2.10 Å. Both V(1)-O(4) bond lengths are 2.10 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Mg(1), two equivalent Nb(1), and one V(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one Nb(1), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OMg2NbV2 square pyramids. In the third O site, O(3) is bonded in a square co-planar geometry to one Mg(1), two equivalent Nb(1), and one V(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Nb(1), and two equivalent V(1) atoms to form a mixture of edge and corner-sharing OMg2NbV2 square pyramids.