LiClCsCl crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), and four equivalent Cl(2) atoms. Li(1) is bonded to one Cl(1), one Cl(3), and two equivalent Cl(2) atoms to form a mixture of corner and edge-sharing LiCl4 tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Li(1) atoms.
LiClCsCl crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), and four equivalent Cl(2) atoms. There is one shorter (3.57 Å) and one longer (3.65 Å) Cs(1)-Cl(1) bond length. There is one shorter (3.65 Å) and one longer (3.74 Å) Cs(1)-Cl(3) bond length. There are a spread of Cs(1)-Cl(2) bond distances ranging from 3.49-3.80 Å. Li(1) is bonded to one Cl(1), one Cl(3), and two equivalent Cl(2) atoms to form a mixture of corner and edge-sharing LiCl4 tetrahedra. The Li(1)-Cl(1) bond length is 2.33 Å. The Li(1)-Cl(3) bond length is 2.31 Å. There is one shorter (2.35 Å) and one longer (2.36 Å) Li(1)-Cl(2) bond length. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to four equivalent Cs(1) and two equivalent Li(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Li(1) atoms.