CsPbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Br(1) and six equivalent Br(2) atoms. Pb(1) is bonded to two equivalent Br(1) and four equivalent Br(2) atoms to form corner-sharing PbBr6 octahedra. The corner-sharing octahedral tilt angles range from 19-27°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted see-saw-like geometry to two equivalent Cs(1) and two equivalent Pb(1) atoms. In the second Br site, Br(2) is bonded to three equivalent Cs(1) and two equivalent Pb(1) atoms to form a mixture of distorted corner and edge-sharing BrCs3Pb2 trigonal bipyramids.
CsPbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Br(1) and six equivalent Br(2) atoms. There is one shorter (3.72 Å) and one longer (3.77 Å) Cs(1)-Br(1) bond length. There are a spread of Cs(1)-Br(2) bond distances ranging from 3.70-4.01 Å. Pb(1) is bonded to two equivalent Br(1) and four equivalent Br(2) atoms to form corner-sharing PbBr6 octahedra. The corner-sharing octahedral tilt angles range from 19-27°. Both Pb(1)-Br(1) bond lengths are 3.01 Å. All Pb(1)-Br(2) bond lengths are 3.01 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted see-saw-like geometry to two equivalent Cs(1) and two equivalent Pb(1) atoms. In the second Br site, Br(2) is bonded to three equivalent Cs(1) and two equivalent Pb(1) atoms to form a mixture of distorted corner and edge-sharing BrCs3Pb2 trigonal bipyramids.