MgV2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form distorted VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-63°. In the second P site, P(2) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-63°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom.
MgV2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-52°. The Mg(1)-O(1) bond length is 2.04 Å. The Mg(1)-O(2) bond length is 2.04 Å. The Mg(1)-O(5) bond length is 2.09 Å. The Mg(1)-O(6) bond length is 2.09 Å. The Mg(1)-O(7) bond length is 2.09 Å. The Mg(1)-O(8) bond length is 2.08 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form distorted VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. The V(1)-O(1) bond length is 1.65 Å. The V(1)-O(10) bond length is 1.94 Å. The V(1)-O(3) bond length is 2.13 Å. The V(1)-O(4) bond length is 2.36 Å. The V(1)-O(7) bond length is 2.04 Å. The V(1)-O(8) bond length is 2.04 Å. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. The V(2)-O(2) bond length is 1.65 Å. The V(2)-O(3) bond length is 2.36 Å. The V(2)-O(4) bond length is 2.14 Å. The V(2)-O(5) bond length is 2.04 Å. The V(2)-O(6) bond length is 2.04 Å. The V(2)-O(9) bond length is 1.94 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-63°. The P(1)-O(10) bond length is 1.51 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(5) bond length is 1.57 Å. The P(1)-O(6) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-63°. The P(2)-O(4) bond length is 1.57 Å. The P(2)-O(7) bond length is 1.57 Å. The P(2)-O(8) bond length is 1.57 Å. The P(2)-O(9) bond length is 1.51 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom.