MgVTl3O4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted L-shaped geometry to two equivalent O(1) atoms. V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one O(2) atom. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Tl(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1), one Tl(2), and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one V(1) and one Tl(2) atom.
MgVTl3O4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a distorted L-shaped geometry to two equivalent O(1) atoms. Both Mg(1)-O(1) bond lengths are 2.04 Å. V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. The V(1)-O(2) bond length is 1.73 Å. The V(1)-O(3) bond length is 1.72 Å. Both V(1)-O(1) bond lengths are 1.79 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one O(2) atom. The Tl(1)-O(2) bond length is 2.75 Å. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Tl(2)-O(2) bond length is 2.83 Å. The Tl(2)-O(3) bond length is 2.60 Å. Both Tl(2)-O(1) bond lengths are 2.73 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Tl(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1), one Tl(2), and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one V(1) and one Tl(2) atom.