CsPbCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, and faces with eight equivalent Pb(1)Cl6 octahedra. Pb(1) is bonded to six equivalent Cl(1) atoms to form PbCl6 octahedra that share corners with six equivalent Pb(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to four equivalent Cs(1) and two equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing ClCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
CsPbCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, and faces with eight equivalent Pb(1)Cl6 octahedra. All Cs(1)-Cl(1) bond lengths are 4.02 Å. Pb(1) is bonded to six equivalent Cl(1) atoms to form PbCl6 octahedra that share corners with six equivalent Pb(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. All Pb(1)-Cl(1) bond lengths are 2.84 Å. Cl(1) is bonded to four equivalent Cs(1) and two equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing ClCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.