Cs2InSbBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, faces with four equivalent In(1)Br6 octahedra, and faces with four equivalent Sb(1)Br6 octahedra. In(1) is bonded to six equivalent Br(1) atoms to form InBr6 octahedra that share corners with six equivalent Sb(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent Br(1) atoms to form SbBr6 octahedra that share corners with six equivalent In(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to four equivalent Cs(1), one In(1), and one Sb(1) atom to form a mixture of distorted face, corner, and edge-sharing BrCs4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2InSbBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, faces with four equivalent In(1)Br6 octahedra, and faces with four equivalent Sb(1)Br6 octahedra. All Cs(1)-Br(1) bond lengths are 4.19 Å. In(1) is bonded to six equivalent Br(1) atoms to form InBr6 octahedra that share corners with six equivalent Sb(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. All In(1)-Br(1) bond lengths are 3.08 Å. Sb(1) is bonded to six equivalent Br(1) atoms to form SbBr6 octahedra that share corners with six equivalent In(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. All Sb(1)-Br(1) bond lengths are 2.83 Å. Br(1) is bonded to four equivalent Cs(1), one In(1), and one Sb(1) atom to form a mixture of distorted face, corner, and edge-sharing BrCs4InSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°.