Materials Data on Cs2CeCl6 by Materials Project
Cs2CeCl6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with six equivalent CsCl12 cuboctahedra, corners with three equivalent CeCl6 octahedra, faces with eight equivalent CsCl12 cuboctahedra, and faces with three equivalent CeCl6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are three shorter (3.79 Å) and nine longer (3.89 Å) Cs–Cl bond lengths. Ce4+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent CsCl12 cuboctahedra and faces with six equivalent CsCl12 cuboctahedra. All Ce–Cl bond lengths are 2.64 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Ce4+ atom.