KTiF4 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 5-coordinate geometry to one F(1) and four equivalent F(2) atoms. Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one K(1) and two equivalent Ti(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Ti(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Ti(1) atoms.
KTiF4 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 5-coordinate geometry to one F(1) and four equivalent F(2) atoms. The K(1)-F(1) bond length is 2.55 Å. All K(1)-F(2) bond lengths are 2.63 Å. Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 6°. Both Ti(1)-F(1) bond lengths are 2.04 Å. Both Ti(1)-F(2) bond lengths are 1.89 Å. Both Ti(1)-F(3) bond lengths are 2.02 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one K(1) and two equivalent Ti(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Ti(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Ti(1) atoms.