MgV2(SO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent S(1)O4 tetrahedra, and faces with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted VO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with four equivalent S(1)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-61°. S(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one S(1) atom.
MgV2(SO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent S(1)O4 tetrahedra, and faces with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. Both Mg(1)-O(1) bond lengths are 2.09 Å. Both Mg(1)-O(3) bond lengths are 2.10 Å. Both Mg(1)-O(4) bond lengths are 2.07 Å. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted VO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with four equivalent S(1)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-61°. The V(1)-O(1) bond length is 2.18 Å. The V(1)-O(2) bond length is 2.08 Å. The V(1)-O(4) bond length is 2.17 Å. The V(1)-O(5) bond length is 2.07 Å. There is one shorter (1.86 Å) and one longer (2.29 Å) V(1)-O(3) bond length. S(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. The S(1)-O(1) bond length is 1.51 Å. The S(1)-O(2) bond length is 1.46 Å. The S(1)-O(4) bond length is 1.51 Å. The S(1)-O(5) bond length is 1.46 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one S(1) atom.