Cs2LiBiCl6 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 Li(1)Cl6 octahedra, and faces with four equivalent Bi(1)Cl6 octahedra. Li(1) is bonded to six equivalent Cl(1) atoms to form LiCl6 octahedra that share corners with six equivalent Bi(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to six equivalent Cl(1) atoms to form BiCl6 octahedra that share corners with six equivalent Li(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 Li(1), and one Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4LiBi octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Cs2LiBiCl6 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 Li(1)Cl6 octahedra, and faces with four equivalent Bi(1)Cl6 octahedra. All Cs(1)-Cl(1) bond lengths are 3.80 Å. Li(1) is bonded to six equivalent Cl(1) atoms to form LiCl6 octahedra that share corners with six equivalent Bi(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. All Li(1)-Cl(1) bond lengths are 2.65 Å. Bi(1) is bonded to six equivalent Cl(1) atoms to form BiCl6 octahedra that share corners with six equivalent Li(1)Cl6 octahedra and faces with eight equivalent Cs(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. All Bi(1)-Cl(1) bond lengths are 2.73 Å. Cl(1) is bonded to four equivalent Cs(1), one Li(1), and one Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing ClCs4LiBi octahedra. The corner-sharing octahedral tilt angles range from 0-60°.