Cs2InBiI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-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, faces with four equivalent In(1)I6 octahedra, and faces with four equivalent Bi(1)I6 octahedra. In(1) is bonded to six equivalent I(1) atoms to form InI6 octahedra that share corners with six equivalent Bi(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to six equivalent I(1) atoms to form BiI6 octahedra that share corners with six equivalent In(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one In(1), and one Bi(1) atom.
Cs2InBiI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-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, faces with four equivalent In(1)I6 octahedra, and faces with four equivalent Bi(1)I6 octahedra. All Cs(1)-I(1) bond lengths are 4.49 Å. In(1) is bonded to six equivalent I(1) atoms to form InI6 octahedra that share corners with six equivalent Bi(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All In(1)-I(1) bond lengths are 3.25 Å. Bi(1) is bonded to six equivalent I(1) atoms to form BiI6 octahedra that share corners with six equivalent In(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All Bi(1)-I(1) bond lengths are 3.10 Å. I(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one In(1), and one Bi(1) atom.