Cs2KSbI6 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 K(1)I6 octahedra, and faces with four equivalent Sb(1)I6 octahedra. K(1) is bonded to six equivalent I(1) atoms to form KI6 octahedra that share corners with six equivalent Sb(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent I(1) atoms to form SbI6 octahedra that share corners with six equivalent K(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 linear geometry to four equivalent Cs(1), one K(1), and one Sb(1) atom.
Cs2KSbI6 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 K(1)I6 octahedra, and faces with four equivalent Sb(1)I6 octahedra. All Cs(1)-I(1) bond lengths are 4.54 Å. K(1) is bonded to six equivalent I(1) atoms to form KI6 octahedra that share corners with six equivalent Sb(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All K(1)-I(1) bond lengths are 3.39 Å. Sb(1) is bonded to six equivalent I(1) atoms to form SbI6 octahedra that share corners with six equivalent K(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All Sb(1)-I(1) bond lengths are 3.03 Å. I(1) is bonded in a linear geometry to four equivalent Cs(1), one K(1), and one Sb(1) atom.