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Cu2OCl2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Cu–O bond lengths are 1.99 Å. Both Cu–Cl bond lengths are 2.24 Å. O2- is bonded to four equivalent Cu2+ atoms to form corner-sharing OCu4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms.
CuO2Cl crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of two CuO2Cl sheets oriented in the (0, 1, 0) direction. Cu is bonded in a rectangular see-saw-like geometry to two equivalent O and two equivalent Cl atoms. Both Cu–O bond lengths are 1.92 Å. Both Cu–Cl bond lengths are 2.29 Å. O is bonded in a bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.31 Å. Cl is bonded in a water-like geometry to two equivalent Cu atoms.
CuO2Cl crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one CuO2Cl ribbon oriented in the (1, 0, 0) direction. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted square co-planar geometry to two O and two equivalent Cl atoms. Both Cu–O bond lengths are 1.93 Å. Both Cu–Cl bond lengths are 2.29 Å. In the second Cu site, Cu is bonded in a distorted square co-planar geometry to two O and two equivalent Cl atoms. Both Cu–O bond lengths are 1.93 Å. Both Cu–Cl bond lengths are 2.29 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.30 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.30 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Cu and one O atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Cu and one O atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Cu atoms. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent Cu atoms.
CuO2Cl crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two CuO2Cl ribbons oriented in the (0, 1, 0) direction. Cu is bonded in a 5-coordinate geometry to two equivalent O and three equivalent Cl atoms. Both Cu–O bond lengths are 2.04 Å. There are two shorter (2.28 Å) and one longer (2.95 Å) Cu–Cl bond lengths. O is bonded in a distorted bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.28 Å. Cl is bonded in a distorted water-like geometry to three equivalent Cu atoms.
Cu2O3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted square co-planar geometry to four O and two equivalent Cl atoms. There is two shorter (1.86 Å) and two longer (1.89 Å) Cu–O bond length. Both Cu–Cl bond lengths are 2.63 Å. In the second Cu site, Cu is bonded to five O and one Cl atom to form distorted edge-sharing CuClO5 octahedra. There are four shorter (1.91 Å) and one longer (2.20 Å) Cu–O bond lengths. The Cu–Cl bond length is 2.51 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to three Cu atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Cu atoms. Cl is bonded in a 3-coordinate geometry to three Cu atoms.
CuO2Cl2 is alpha Po structured and crystallizes in the orthorhombic Pmna space group. The structure is zero-dimensional and consists of two CuO2Cl2 clusters. Cu is bonded in a square co-planar geometry to two equivalent O and two equivalent Cl atoms. Both Cu–O bond lengths are 1.77 Å. Both Cu–Cl bond lengths are 2.19 Å. O is bonded in a single-bond geometry to one Cu atom. Cl is bonded in a single-bond geometry to one Cu atom.