MgTi2W2Tl2(O5F)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one Tl(1), one O(5), two equivalent O(3), and one F(1) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(6), one F(1), and one F(2) atom to form TiO4F2 octahedra that share corners with two equivalent Ti(2)O4F2 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-53°. In the second Ti site, Ti(2) is bonded to two equivalent O(3), two equivalent O(4), one F(1), and one F(2) atom to form TiO4F2 octahedra that share corners with two equivalent Ti(1)O4F2 octahedra, corners with four equivalent W(1)O6 octahedra, and corners with two equivalent Tl(1)MgO3 tetrahedra. The corner-sharing octahedral tilt angles range from 33-53°. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with two equivalent Ti(1)O4F2 octahedra, corners with two equivalent Ti(2)O4F2 octahedra, corners with two equivalent W(1)O6 octahedra, and corners with two equivalent Tl(1)MgO3 tetrahedra. The corner-sharing octahedral tilt angles range from 34-53°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one Mg(1), one O(2), and two equivalent O(4) atoms to form distorted TlMgO3 tetrahedra that share corners with two equivalent Ti(2)O4F2 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 68-74°. In the second Tl site, Tl(2) is bonded in a 1-coordinate geometry to one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ti(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Tl(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one Ti(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ti(2), one W(1), and one Tl(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), two equivalent W(1), and one Tl(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one W(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom.
MgTi2W2Tl2(O5F)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one Tl(1), one O(5), two equivalent O(3), and one F(1) atom. The Mg(1)-Tl(1) bond length is 3.19 Å. The Mg(1)-O(5) bond length is 2.10 Å. Both Mg(1)-O(3) bond lengths are 2.00 Å. The Mg(1)-F(1) bond length is 2.45 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(6), one F(1), and one F(2) atom to form TiO4F2 octahedra that share corners with two equivalent Ti(2)O4F2 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-53°. Both Ti(1)-O(1) bond lengths are 1.83 Å. Both Ti(1)-O(6) bond lengths are 2.05 Å. The Ti(1)-F(1) bond length is 2.04 Å. The Ti(1)-F(2) bond length is 2.04 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(3), two equivalent O(4), one F(1), and one F(2) atom to form TiO4F2 octahedra that share corners with two equivalent Ti(1)O4F2 octahedra, corners with four equivalent W(1)O6 octahedra, and corners with two equivalent Tl(1)MgO3 tetrahedra. The corner-sharing octahedral tilt angles range from 33-53°. Both Ti(2)-O(3) bond lengths are 2.05 Å. Both Ti(2)-O(4) bond lengths are 1.83 Å. The Ti(2)-F(1) bond length is 2.14 Å. The Ti(2)-F(2) bond length is 1.96 Å. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with two equivalent Ti(1)O4F2 octahedra, corners with two equivalent Ti(2)O4F2 octahedra, corners with two equivalent W(1)O6 octahedra, and corners with two equivalent Tl(1)MgO3 tetrahedra. The corner-sharing octahedral tilt angles range from 34-53°. The W(1)-O(1) bond length is 2.06 Å. The W(1)-O(2) bond length is 2.01 Å. The W(1)-O(3) bond length is 2.02 Å. The W(1)-O(4) bond length is 2.04 Å. The W(1)-O(5) bond length is 2.09 Å. The W(1)-O(6) bond length is 1.87 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one Mg(1), one O(2), and two equivalent O(4) atoms to form distorted TlMgO3 tetrahedra that share corners with two equivalent Ti(2)O4F2 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 68-74°. The Tl(1)-O(2) bond length is 2.56 Å. Both Tl(1)-O(4) bond lengths are 2.76 Å. In the second Tl site, Tl(2) is bonded in a 1-coordinate geometry to one O(5) atom. The Tl(2)-O(5) bond length is 2.84 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ti(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent W(1) and one Tl(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one Ti(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ti(2), one W(1), and one Tl(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), two equivalent W(1), and one Tl(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one W(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom.