Cs2CaSnCl6 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 Ca(1)Cl6 octahedra, and faces with four equivalent Sn(1)Cl6 octahedra. Ca(1) is bonded to six equivalent Cl(1) atoms to form CaCl6 octahedra that share corners with six equivalent Sn(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Sn(1) is bonded to six equivalent Cl(1) atoms to form SnCl6 octahedra that share corners with six equivalent Ca(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 Ca(1), and one Sn(1) atom to form a mixture of distorted edge, face, and corner-sharing ClCs4CaSn octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2CaSnCl6 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 Ca(1)Cl6 octahedra, and faces with four equivalent Sn(1)Cl6 octahedra. All Cs(1)-Cl(1) bond lengths are 3.93 Å. Ca(1) is bonded to six equivalent Cl(1) atoms to form CaCl6 octahedra that share corners with six equivalent Sn(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. All Ca(1)-Cl(1) bond lengths are 2.73 Å. Sn(1) is bonded to six equivalent Cl(1) atoms to form SnCl6 octahedra that share corners with six equivalent Ca(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. All Sn(1)-Cl(1) bond lengths are 2.83 Å. Cl(1) is bonded to four equivalent Cs(1), one Ca(1), and one Sn(1) atom to form a mixture of distorted edge, face, and corner-sharing ClCs4CaSn octahedra. The corner-sharing octahedral tilt angles range from 0-60°.