Cs2CeCuI6 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 Ce(1)I6 octahedra, and faces with four equivalent Cu(1)I6 octahedra. Ce(1) is bonded to six equivalent I(1) atoms to form CeI6 octahedra that share corners with six equivalent Cu(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to six equivalent I(1) atoms to form CuI6 octahedra that share corners with six equivalent Ce(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. I(1) is bonded to four equivalent Cs(1), one Ce(1), and one Cu(1) atom to form a mixture of distorted corner, face, and edge-sharing ICs4CeCu octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2CeCuI6 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 Ce(1)I6 octahedra, and faces with four equivalent Cu(1)I6 octahedra. All Cs(1)-I(1) bond lengths are 4.27 Å. Ce(1) is bonded to six equivalent I(1) atoms to form CeI6 octahedra that share corners with six equivalent Cu(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ce(1)-I(1) bond lengths are 3.14 Å. Cu(1) is bonded to six equivalent I(1) atoms to form CuI6 octahedra that share corners with six equivalent Ce(1)I6 octahedra and faces with eight equivalent Cs(1)I12 cuboctahedra. The corner-sharing octahedra are not tilted. All Cu(1)-I(1) bond lengths are 2.90 Å. I(1) is bonded to four equivalent Cs(1), one Ce(1), and one Cu(1) atom to form a mixture of distorted corner, face, and edge-sharing ICs4CeCu octahedra. The corner-sharing octahedral tilt angles range from 0-60°.