Cs2InBiBr6 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 Bi(1)Br6 octahedra. In(1) is bonded to six equivalent Br(1) atoms to form InBr6 octahedra that share corners with six equivalent Bi(1)Br6 octahedra and faces with eight equivalent Cs(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to six equivalent Br(1) atoms to form BiBr6 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 Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing BrCs4InBi octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2InBiBr6 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 Bi(1)Br6 octahedra. All Cs(1)-Br(1) bond lengths are 4.23 Å. In(1) is bonded to six equivalent Br(1) atoms to form InBr6 octahedra that share corners with six equivalent Bi(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 3.09 Å. Bi(1) is bonded to six equivalent Br(1) atoms to form BiBr6 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 Bi(1)-Br(1) bond lengths are 2.89 Å. Br(1) is bonded to four equivalent Cs(1), one In(1), and one Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing BrCs4InBi octahedra. The corner-sharing octahedral tilt angles range from 0-60°.