MgV(PO3)4 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. V(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-59°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-60°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(2) atom. In the fourth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom.
MgV(PO3)4 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. Both Mg(1)-O(4) bond lengths are 2.17 Å. Both Mg(1)-O(5) bond lengths are 2.20 Å. Both Mg(1)-O(6) bond lengths are 2.02 Å. V(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. Both V(1)-O(3) bond lengths are 2.13 Å. Both V(1)-O(4) bond lengths are 2.16 Å. Both V(1)-O(5) bond lengths are 2.18 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-59°. The P(1)-O(1) bond length is 1.61 Å. The P(1)-O(2) bond length is 1.61 Å. The P(1)-O(3) bond length is 1.48 Å. The P(1)-O(4) bond length is 1.52 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-60°. The P(2)-O(1) bond length is 1.60 Å. The P(2)-O(2) bond length is 1.60 Å. The P(2)-O(5) bond length is 1.52 Å. The P(2)-O(6) bond length is 1.48 Å. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. In the third O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(2) atom. In the fourth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom.