MgTiF5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to one F(1), two equivalent F(2), and four equivalent F(3) atoms to form distorted MgF7 pentagonal bipyramids that share corners with four equivalent Ti(1)F6 octahedra, edges with two equivalent Ti(1)F6 octahedra, and edges with two equivalent Mg(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 5-35°. Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TiF6 octahedra that share corners with two equivalent Ti(1)F6 octahedra, corners with four equivalent Mg(1)F7 pentagonal bipyramids, and edges with two equivalent Mg(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ti(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Mg(1) and one Ti(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mg(1) and one Ti(1) atom.
MgTiF5 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded to one F(1), two equivalent F(2), and four equivalent F(3) atoms to form distorted MgF7 pentagonal bipyramids that share corners with four equivalent Ti(1)F6 octahedra, edges with two equivalent Ti(1)F6 octahedra, and edges with two equivalent Mg(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 5-35°. The Mg(1)-F(1) bond length is 2.16 Å. Both Mg(1)-F(2) bond lengths are 1.97 Å. There are two shorter (1.99 Å) and two longer (2.53 Å) Mg(1)-F(3) bond lengths. Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TiF6 octahedra that share corners with two equivalent Ti(1)F6 octahedra, corners with four equivalent Mg(1)F7 pentagonal bipyramids, and edges with two equivalent Mg(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. Both Ti(1)-F(1) bond lengths are 2.06 Å. Both Ti(1)-F(2) bond lengths are 1.91 Å. Both Ti(1)-F(3) bond lengths are 2.00 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ti(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Mg(1) and one Ti(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mg(1) and one Ti(1) atom.