CsLiICl crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to two equivalent I(1) and four equivalent Cl(1) atoms to form a mixture of edge and corner-sharing CsI2Cl4 octahedra. The corner-sharing octahedra are not tilted. Li(1) is bonded in a square co-planar geometry to four equivalent I(1) atoms. I(1) is bonded to two equivalent Cs(1) and four equivalent Li(1) atoms to form a mixture of edge and corner-sharing ICs2Li4 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a square co-planar geometry to four equivalent Cs(1) atoms.
CsLiICl crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded to two equivalent I(1) and four equivalent Cl(1) atoms to form a mixture of edge and corner-sharing CsI2Cl4 octahedra. The corner-sharing octahedra are not tilted. Both Cs(1)-I(1) bond lengths are 3.80 Å. All Cs(1)-Cl(1) bond lengths are 3.27 Å. Li(1) is bonded in a square co-planar geometry to four equivalent I(1) atoms. All Li(1)-I(1) bond lengths are 3.27 Å. I(1) is bonded to two equivalent Cs(1) and four equivalent Li(1) atoms to form a mixture of edge and corner-sharing ICs2Li4 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a square co-planar geometry to four equivalent Cs(1) atoms.