MgTi2W2Tl2(O5F)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a distorted L-shaped geometry to two equivalent O(2) and two equivalent F(1) atoms. Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent F(1) atoms to form TiO4F2 octahedra that share corners with two equivalent Ti(1)O4F2 octahedra, corners with two equivalent W(1)O6 octahedra, and corners with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent Ti(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 32-41°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ti(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. Tl(1) is bonded in a distorted single-bond geometry to one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees 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 one Mg(1), one Ti(1), and one W(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one W(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one W(1), and one Tl(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one W(2) atom. F(1) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Ti(1) atoms.
MgTi2W2Tl2(O5F)2 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a distorted L-shaped geometry to two equivalent O(2) and two equivalent F(1) atoms. Both Mg(1)-O(2) bond lengths are 1.99 Å. Both Mg(1)-F(1) bond lengths are 2.64 Å. Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent F(1) atoms to form TiO4F2 octahedra that share corners with two equivalent Ti(1)O4F2 octahedra, corners with two equivalent W(1)O6 octahedra, and corners with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-46°. The Ti(1)-O(1) bond length is 1.95 Å. The Ti(1)-O(2) bond length is 2.04 Å. The Ti(1)-O(4) bond length is 1.91 Å. The Ti(1)-O(5) bond length is 1.83 Å. There is one shorter (2.04 Å) and one longer (2.12 Å) Ti(1)-F(1) bond length. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent Ti(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 32-41°. Both W(1)-O(1) bond lengths are 1.89 Å. Both W(1)-O(3) bond lengths are 1.98 Å. Both W(1)-O(4) bond lengths are 1.99 Å. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Ti(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-45°. Both W(2)-O(2) bond lengths are 2.03 Å. Both W(2)-O(3) bond lengths are 1.97 Å. Both W(2)-O(5) bond lengths are 2.01 Å. Tl(1) is bonded in a distorted single-bond geometry to one O(4) atom. The Tl(1)-O(4) bond length is 2.62 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees 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 one Mg(1), one Ti(1), and one W(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one W(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one W(1), and one Tl(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one W(2) atom. F(1) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Ti(1) atoms.