MgV4TlO10 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a bent 120 degrees geometry to two equivalent Tl(1), one O(1), and one O(10) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(8), one O(9), and two equivalent O(6) atoms. In the second V site, V(2) is bonded to one O(10), one O(4), one O(5), one O(8), and two equivalent O(7) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 28°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one O(8), and two equivalent O(3) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms. Tl(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent O(2), and two equivalent O(9) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(3) and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded to one V(1), one V(4), and two equivalent V(3) atoms to form a mixture of distorted edge and corner-sharing OV4 tetrahedra. In the fourth O site, O(4) is bonded to one V(2), one V(3), and two equivalent V(4) atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(2) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(2) atom.
MgV4TlO10 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a bent 120 degrees geometry to two equivalent Tl(1), one O(1), and one O(10) atom. There is one shorter (2.97 Å) and one longer (3.00 Å) Mg(1)-Tl(1) bond length. The Mg(1)-O(1) bond length is 1.88 Å. The Mg(1)-O(10) bond length is 1.87 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(8), one O(9), and two equivalent O(6) atoms. The V(1)-O(3) bond length is 2.05 Å. The V(1)-O(5) bond length is 2.21 Å. The V(1)-O(8) bond length is 1.93 Å. The V(1)-O(9) bond length is 1.76 Å. There is one shorter (1.95 Å) and one longer (1.96 Å) V(1)-O(6) bond length. In the second V site, V(2) is bonded to one O(10), one O(4), one O(5), one O(8), and two equivalent O(7) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 28°. The V(2)-O(10) bond length is 1.75 Å. The V(2)-O(4) bond length is 2.08 Å. The V(2)-O(5) bond length is 1.79 Å. The V(2)-O(8) bond length is 1.98 Å. Both V(2)-O(7) bond lengths are 1.96 Å. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one O(8), and two equivalent O(3) atoms. The V(3)-O(2) bond length is 1.72 Å. The V(3)-O(4) bond length is 2.27 Å. The V(3)-O(6) bond length is 1.97 Å. The V(3)-O(8) bond length is 1.98 Å. Both V(3)-O(3) bond lengths are 1.99 Å. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms. The V(4)-O(1) bond length is 1.72 Å. The V(4)-O(3) bond length is 2.26 Å. The V(4)-O(5) bond length is 2.02 Å. The V(4)-O(7) bond length is 1.94 Å. Both V(4)-O(4) bond lengths are 1.98 Å. Tl(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent O(2), and two equivalent O(9) atoms. There is one shorter (2.55 Å) and one longer (2.58 Å) Tl(1)-O(2) bond length. There is one shorter (2.48 Å) and one longer (2.49 Å) Tl(1)-O(9) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(3) and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded to one V(1), one V(4), and two equivalent V(3) atoms to form a mixture of distorted edge and corner-sharing OV4 tetrahedra. In the fourth O site, O(4) is bonded to one V(2), one V(3), and two equivalent V(4) atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(2) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(2) atom.