Cs2PbBr6 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 Pb(1)Br6 octahedra. Pb(1) is bonded to six equivalent Br(1) atoms to form PbBr6 octahedra that share faces with eight equivalent Cs(1)Br12 cuboctahedra. Br(1) is bonded to four equivalent Cs(1) and one Pb(1) atom to form a mixture of distorted edge, corner, and face-sharing BrCs4Pb square pyramids.
Cs2PbBr6 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 Pb(1)Br6 octahedra. All Cs(1)-Br(1) bond lengths are 4.02 Å. Pb(1) is bonded to six equivalent Br(1) atoms to form PbBr6 octahedra that share faces with eight equivalent Cs(1)Br12 cuboctahedra. All Pb(1)-Br(1) bond lengths are 2.75 Å. Br(1) is bonded to four equivalent Cs(1) and one Pb(1) atom to form a mixture of distorted edge, corner, and face-sharing BrCs4Pb square pyramids.