MgV5O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(3)O5 trigonal bipyramid. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a cornercorner with one V(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-60°. In the third V site, V(3) is bonded to one O(10), one O(2), one O(5), one O(7), and one O(9) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent V(5)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and corners with two equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-55°. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  a cornercorner with one V(3)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(5) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Mg(1) and one V(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(2) and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(3) and one V(5) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(4), and one V(5) atom.
MgV5O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one V(3)O5 trigonal bipyramid. The Mg(1)-O(12) bond length is 2.02 Å. The Mg(1)-O(3) bond length is 2.11 Å. The Mg(1)-O(5) bond length is 2.12 Å. The Mg(1)-O(6) bond length is 2.18 Å. The Mg(1)-O(9) bond length is 2.06 Å. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a cornercorner with one V(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 54°. The V(1)-O(1) bond length is 1.70 Å. The V(1)-O(2) bond length is 1.71 Å. The V(1)-O(4) bond length is 1.80 Å. The V(1)-O(6) bond length is 1.85 Å. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-60°. The V(2)-O(3) bond length is 1.81 Å. The V(2)-O(4) bond length is 1.92 Å. The V(2)-O(6) bond length is 2.00 Å. The V(2)-O(8) bond length is 1.72 Å. In the third V site, V(3) is bonded to one O(10), one O(2), one O(5), one O(7), and one O(9) atom to form distorted VO5 trigonal bipyramids that share  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 48°. The V(3)-O(10) bond length is 1.70 Å. The V(3)-O(2) bond length is 2.19 Å. The V(3)-O(5) bond length is 1.68 Å. The V(3)-O(7) bond length is 1.82 Å. The V(3)-O(9) bond length is 1.94 Å. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share corners with two equivalent V(5)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and corners with two equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-55°. The V(4)-O(11) bond length is 1.68 Å. The V(4)-O(12) bond length is 1.74 Å. The V(4)-O(7) bond length is 1.76 Å. The V(4)-O(9) bond length is 1.79 Å. In the fifth V site, V(5) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  a cornercorner with one V(3)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The V(5)-O(1) bond length is 2.01 Å. The V(5)-O(10) bond length is 2.00 Å. The V(5)-O(11) bond length is 2.00 Å. The V(5)-O(12) bond length is 2.08 Å. The V(5)-O(3) bond length is 2.05 Å. The V(5)-O(8) bond length is 2.01 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one V(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(5) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Mg(1) and one V(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(2) and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(3) and one V(5) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(4), and one V(5) atom.