Cs2KScI6 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 Sc(1)I6 octahedra. K(1) is bonded to six equivalent I(1) atoms to form KI6 octahedra that share corners with six equivalent Sc(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Sc(1) is bonded to six equivalent I(1) atoms to form ScI6 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 distorted linear geometry to four equivalent Cs(1), one K(1), and one Sc(1) atom.
Cs2KScI6 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 Sc(1)I6 octahedra. All Cs(1)-I(1) bond lengths are 4.46 Å. K(1) is bonded to six equivalent I(1) atoms to form KI6 octahedra that share corners with six equivalent Sc(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 3.40 Å. Sc(1) is bonded to six equivalent I(1) atoms to form ScI6 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 Sc(1)-I(1) bond lengths are 2.90 Å. I(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one K(1), and one Sc(1) atom.