CsSnI3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, and faces with eight equivalent Sn(1)I6 octahedra. Sn(1) is bonded to six equivalent I(1) atoms to form SnI6 octahedra that share corners with six equivalent Sn(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded to four equivalent Cs(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner, edge, and face-sharing ICs4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
CsSnI3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Cs(1) is bonded to twelve equivalent I(1) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra, faces with six equivalent Cs(1)I12 cuboctahedra, and faces with eight equivalent Sn(1)I6 octahedra. All Cs(1)-I(1) bond lengths are 4.45 Å. Sn(1) is bonded to six equivalent I(1) atoms to form SnI6 octahedra that share corners with six equivalent Sn(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All Sn(1)-I(1) bond lengths are 3.14 Å. I(1) is bonded to four equivalent Cs(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner, edge, and face-sharing ICs4Sn2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.