Materials Data on Cs2TiCl6 by Materials Project
Cs2TiCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with four equivalent TiCl6 octahedra. All Cs–Cl bond lengths are 3.75 Å. Ti4+ is bonded to six equivalent Cl1- atoms to form TiCl6 octahedra that share faces with eight equivalent CsCl12 cuboctahedra. All Ti–Cl bond lengths are 2.37 Å. Cl1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Ti4+ atom.
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