Cs2CuSbI6 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 Cu(1)I6 octahedra, and faces with four equivalent Sb(1)I6 octahedra. Cu(1) is bonded to six equivalent I(1) atoms to form CuI6 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 Cu(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 Cu(1), and one Sb(1) atom to form a mixture of distorted edge, corner, and face-sharing ICs4CuSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2CuSbI6 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 Cu(1)I6 octahedra, and faces with four equivalent Sb(1)I6 octahedra. All Cs(1)-I(1) bond lengths are 4.19 Å. Cu(1) is bonded to six equivalent I(1) atoms to form CuI6 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 Cu(1)-I(1) bond lengths are 2.87 Å. Sb(1) is bonded to six equivalent I(1) atoms to form SbI6 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 Sb(1)-I(1) bond lengths are 3.06 Å. I(1) is bonded to four equivalent Cs(1), one Cu(1), and one Sb(1) atom to form a mixture of distorted edge, corner, and face-sharing ICs4CuSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°.