Cs2UCl6 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with six equivalent Cs(1)Cl12 cuboctahedra, corners with three equivalent U(1)Cl6 octahedra, faces with eight equivalent Cs(1)Cl12 cuboctahedra, and faces with three equivalent U(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 21°. U(1) is bonded to six equivalent Cl(1) atoms to form UCl6 octahedra that share corners with six equivalent Cs(1)Cl12 cuboctahedra and faces with six equivalent Cs(1)Cl12 cuboctahedra. Cl(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one U(1) atom.
Cs2UCl6 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with six equivalent Cs(1)Cl12 cuboctahedra, corners with three equivalent U(1)Cl6 octahedra, faces with eight equivalent Cs(1)Cl12 cuboctahedra, and faces with three equivalent U(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Cs(1)-Cl(1) bond distances ranging from 3.72-3.77 Å. U(1) is bonded to six equivalent Cl(1) atoms to form UCl6 octahedra that share corners with six equivalent Cs(1)Cl12 cuboctahedra and faces with six equivalent Cs(1)Cl12 cuboctahedra. All U(1)-Cl(1) bond lengths are 2.63 Å. Cl(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one U(1) atom.