CsKICl 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 CsI2Cl4 octahedra that share corners with six equivalent Cs(1)I2Cl4 octahedra, edges with four equivalent Cs(1)I2Cl4 octahedra, and edges with eight equivalent K(1)I4Cl2 octahedra. The corner-sharing octahedra are not tilted. K(1) is bonded to four equivalent I(1) and two equivalent Cl(1) atoms to form KI4Cl2 octahedra that share corners with six equivalent K(1)I4Cl2 octahedra, edges with four equivalent K(1)I4Cl2 octahedra, and edges with eight equivalent Cs(1)I2Cl4 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded to two equivalent Cs(1) and four equivalent K(1) atoms to form ICs2K4 octahedra that share corners with six equivalent I(1)Cs2K4 octahedra, edges with four equivalent I(1)Cs2K4 octahedra, and edges with eight equivalent Cl(1)Cs4K2 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to four equivalent Cs(1) and two equivalent K(1) atoms to form ClCs4K2 octahedra that share corners with six equivalent Cl(1)Cs4K2 octahedra, edges with four equivalent Cl(1)Cs4K2 octahedra, and edges with eight equivalent I(1)Cs2K4 octahedra. The corner-sharing octahedra are not tilted.
CsKICl 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 CsI2Cl4 octahedra that share corners with six equivalent Cs(1)I2Cl4 octahedra, edges with four equivalent Cs(1)I2Cl4 octahedra, and edges with eight equivalent K(1)I4Cl2 octahedra. The corner-sharing octahedra are not tilted. Both Cs(1)-I(1) bond lengths are 3.75 Å. All Cs(1)-Cl(1) bond lengths are 3.53 Å. K(1) is bonded to four equivalent I(1) and two equivalent Cl(1) atoms to form KI4Cl2 octahedra that share corners with six equivalent K(1)I4Cl2 octahedra, edges with four equivalent K(1)I4Cl2 octahedra, and edges with eight equivalent Cs(1)I2Cl4 octahedra. The corner-sharing octahedra are not tilted. All K(1)-I(1) bond lengths are 3.53 Å. Both K(1)-Cl(1) bond lengths are 3.75 Å. I(1) is bonded to two equivalent Cs(1) and four equivalent K(1) atoms to form ICs2K4 octahedra that share corners with six equivalent I(1)Cs2K4 octahedra, edges with four equivalent I(1)Cs2K4 octahedra, and edges with eight equivalent Cl(1)Cs4K2 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to four equivalent Cs(1) and two equivalent K(1) atoms to form ClCs4K2 octahedra that share corners with six equivalent Cl(1)Cs4K2 octahedra, edges with four equivalent Cl(1)Cs4K2 octahedra, and edges with eight equivalent I(1)Cs2K4 octahedra. The corner-sharing octahedra are not tilted.