Materials Data on K2TiCl6 by Materials Project
K2TiCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent TiCl6 octahedra. All K–Cl bond lengths are 3.55 Å. Ti4+ is bonded to six equivalent Cl1- atoms to form TiCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Ti–Cl bond lengths are 2.36 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ti4+ atom.
36 MATERIALS SCIENCE↗