PbCsF3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. Cs(1) is bonded in a 9-coordinate geometry to nine equivalent F(1) atoms. Pb(1) is bonded to six equivalent F(1) atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 22°. F(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Pb(1) atoms.
PbCsF3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. Cs(1) is bonded in a 9-coordinate geometry to nine equivalent F(1) atoms. There are a spread of Cs(1)-F(1) bond distances ranging from 3.06-3.59 Å. Pb(1) is bonded to six equivalent F(1) atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are three shorter (2.35 Å) and three longer (2.53 Å) Pb(1)-F(1) bond lengths. F(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Pb(1) atoms.