PbCsF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with eight equivalent Pb(1)F6 octahedra. Pb(1) is bonded to six equivalent F(1) atoms to form PbF6 octahedra that share corners with six equivalent Pb(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent Cs(1) and two equivalent Pb(1) atoms to form a mixture of distorted corner, edge, and face-sharing FCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
PbCsF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with eight equivalent Pb(1)F6 octahedra. All Cs(1)-F(1) bond lengths are 3.42 Å. Pb(1) is bonded to six equivalent F(1) atoms to form PbF6 octahedra that share corners with six equivalent Pb(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. All Pb(1)-F(1) bond lengths are 2.42 Å. F(1) is bonded to four equivalent Cs(1) and two equivalent Pb(1) atoms to form a mixture of distorted corner, edge, and face-sharing FCs4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.