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CuCl is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Cl1- atoms to form corner-sharing CuCl4 tetrahedra. All Cu–Cl bond lengths are 2.34 Å. Cl1- is bonded to four equivalent Cu1+ atoms to form corner-sharing ClCu4 tetrahedra.
CuCl is SC16 CuCl, stable at 5GPa structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Cl1- atoms to form corner-sharing CuCl4 trigonal pyramids. There are three shorter (2.33 Å) and one longer (2.53 Å) Cu–Cl bond lengths. Cl1- is bonded to four equivalent Cu1+ atoms to form corner-sharing ClCu4 trigonal pyramids.
CuCl2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two CuCl2 ribbons oriented in the (0, 1, 0) direction. Cu2+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Cu–Cl bond lengths are 2.28 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms.
CuCl4 is Silicon tetrafluoride-like structured and crystallizes in the orthorhombic Fmm2 space group. The structure is zero-dimensional and consists of four CuCl4 clusters. Cu is bonded in a tetrahedral geometry to four Cl atoms. All Cu–Cl bond lengths are 2.17 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Cu atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Cu atom.
CuCl is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cu1+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.56 Å. Cl1- is bonded to six equivalent Cu1+ atoms to form a mixture of edge and corner-sharing ClCu6 octahedra. The corner-sharing octahedral tilt angles are 0°.
CuCl2 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one CuCl2 sheet oriented in the (0, 0, 1) direction. Cu2+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Cu–Cl bond lengths are 2.26 Å. Cl1- is bonded in a linear geometry to two equivalent Cu2+ atoms.