Cs2HfBr6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, and faces with four equivalent Hf(1)Br6 octahedra. Hf(1) is bonded to six equivalent Br(1) atoms to form HfBr6 octahedra that share faces with eight equivalent Cs(1)Br12 cuboctahedra. Br(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Hf(1) atom.
Cs2HfBr6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, and faces with four equivalent Hf(1)Br6 octahedra. All Cs(1)-Br(1) bond lengths are 3.88 Å. Hf(1) is bonded to six equivalent Br(1) atoms to form HfBr6 octahedra that share faces with eight equivalent Cs(1)Br12 cuboctahedra. All Hf(1)-Br(1) bond lengths are 2.61 Å. Br(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one Hf(1) atom.