LiClCsCl crystallizes in the tetragonal P4/nmm space group. Cs(1) is bonded to five equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing CsCl5 square pyramids. Li(1) is bonded in a 5-coordinate geometry to one Cl(1) and four equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to five equivalent Cs(1) and one Li(1) atom to form a mixture of distorted edge and corner-sharing ClCs5Li octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to four equivalent Li(1) atoms.
LiClCsCl crystallizes in the tetragonal P4/nmm space group. Cs(1) is bonded to five equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing CsCl5 square pyramids. There are four shorter (3.47 Å) and one longer (3.49 Å) Cs(1)-Cl(1) bond length. Li(1) is bonded in a 5-coordinate geometry to one Cl(1) and four equivalent Cl(2) atoms. The Li(1)-Cl(1) bond length is 2.34 Å. All Li(1)-Cl(2) bond lengths are 2.57 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to five equivalent Cs(1) and one Li(1) atom to form a mixture of distorted edge and corner-sharing ClCs5Li octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to four equivalent Li(1) atoms.