Cs2CuSbCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, faces with four equivalent Cu(1)Cl6 octahedra, and faces with four equivalent Sb(1)Cl6 octahedra. Cu(1) is bonded to six equivalent Cl(1) atoms to form CuCl6 octahedra that share corners with six equivalent Sb(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent Cl(1) atoms to form SbCl6 octahedra that share corners with six equivalent Cu(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to four equivalent Cs(1), one Cu(1), and one Sb(1) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4CuSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2CuSbCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Cl(1) atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent Cs(1)Cl12 cuboctahedra, faces with six equivalent Cs(1)Cl12 cuboctahedra, faces with four equivalent Cu(1)Cl6 octahedra, and faces with four equivalent Sb(1)Cl6 octahedra. All Cs(1)-Cl(1) bond lengths are 3.72 Å. Cu(1) is bonded to six equivalent Cl(1) atoms to form CuCl6 octahedra that share corners with six equivalent Sb(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. All Cu(1)-Cl(1) bond lengths are 2.56 Å. Sb(1) is bonded to six equivalent Cl(1) atoms to form SbCl6 octahedra that share corners with six equivalent Cu(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. All Sb(1)-Cl(1) bond lengths are 2.70 Å. Cl(1) is bonded to four equivalent Cs(1), one Cu(1), and one Sb(1) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4CuSb octahedra. The corner-sharing octahedral tilt angles range from 0-60°.