CsSnBr3 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. Sn(1) is bonded to two equivalent Br(1) and four equivalent Br(2) atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedral tilt angles range from 15-22°. 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 Sn(1) atoms. In the second Br site, Br(2) is bonded to three equivalent Cs(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing BrCs3Sn2 trigonal bipyramids.
CsSnBr3 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 (3.76 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 3.71-4.08 Å. Sn(1) is bonded to two equivalent Br(1) and four equivalent Br(2) atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedral tilt angles range from 15-22°. Both Sn(1)-Br(1) bond lengths are 2.95 Å. There are two shorter (2.94 Å) and two longer (2.95 Å) Sn(1)-Br(2) bond lengths. 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 Sn(1) atoms. In the second Br site, Br(2) is bonded to three equivalent Cs(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing BrCs3Sn2 trigonal bipyramids.