MgVSiO5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(6) atom to form MgO5 square pyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 43-47°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with three equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 45-67°. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 43-63°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Si(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(2), one V(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), one V(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Mg(1), one Mg(2), one V(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(2), one V(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Mg(2), one V(2), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(2), one V(1), and one V(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom.
MgVSiO5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(10), one O(3), one O(4), and one O(6) atom to form MgO5 square pyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. The Mg(1)-O(1) bond length is 2.13 Å. The Mg(1)-O(10) bond length is 2.04 Å. The Mg(1)-O(3) bond length is 2.08 Å. The Mg(1)-O(4) bond length is 2.15 Å. The Mg(1)-O(6) bond length is 2.03 Å. In the second Mg site, Mg(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. The Mg(2)-O(2) bond length is 2.12 Å. The Mg(2)-O(3) bond length is 2.70 Å. The Mg(2)-O(4) bond length is 2.34 Å. The Mg(2)-O(5) bond length is 2.50 Å. The Mg(2)-O(7) bond length is 2.09 Å. The Mg(2)-O(8) bond length is 2.24 Å. The Mg(2)-O(9) bond length is 2.15 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-47°. The V(1)-O(10) bond length is 1.78 Å. The V(1)-O(2) bond length is 1.99 Å. The V(1)-O(3) bond length is 2.07 Å. The V(1)-O(5) bond length is 1.97 Å. The V(1)-O(8) bond length is 2.04 Å. The V(1)-O(9) bond length is 1.97 Å. In the second V site, V(2) is bonded to one O(1), one O(10), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 43-47°. The V(2)-O(1) bond length is 1.98 Å. The V(2)-O(10) bond length is 2.01 Å. The V(2)-O(4) bond length is 2.06 Å. The V(2)-O(6) bond length is 1.99 Å. The V(2)-O(7) bond length is 1.95 Å. The V(2)-O(9) bond length is 1.79 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with three equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 45-67°. The Si(1)-O(1) bond length is 1.66 Å. The Si(1)-O(3) bond length is 1.66 Å. The Si(1)-O(6) bond length is 1.65 Å. The Si(1)-O(8) bond length is 1.65 Å. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 43-63°. The Si(2)-O(2) bond length is 1.65 Å. The Si(2)-O(4) bond length is 1.67 Å. The Si(2)-O(5) bond length is 1.64 Å. The Si(2)-O(7) bond length is 1.65 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Si(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(2), one V(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), one V(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Mg(1), one Mg(2), one V(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(2), one V(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Mg(2), one V(2), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(2), one V(1), and one V(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom.