MgTiF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 7-coordinate geometry to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms. Ti(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and one Ti(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Ti(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Ti(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Ti(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ti(1) atoms.
MgTiF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 7-coordinate geometry to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms. The Mg(1)-F(3) bond length is 1.94 Å. The Mg(1)-F(4) bond length is 1.94 Å. The Mg(1)-F(5) bond length is 2.23 Å. There is one shorter (2.02 Å) and one longer (2.56 Å) Mg(1)-F(1) bond length. There is one shorter (2.04 Å) and one longer (2.41 Å) Mg(1)-F(2) bond length. Ti(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. The Ti(1)-F(1) bond length is 2.00 Å. The Ti(1)-F(2) bond length is 1.98 Å. The Ti(1)-F(3) bond length is 1.93 Å. The Ti(1)-F(4) bond length is 1.96 Å. There is one shorter (2.03 Å) and one longer (2.04 Å) Ti(1)-F(5) bond length. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1) and one Ti(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Ti(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Ti(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Ti(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ti(1) atoms.