Materials Data on CuC6 by Materials Project
CuC6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Cu2+ is bonded in an octahedral geometry to six C+0.33- atoms. There are two shorter (1.86 Å) and four longer (2.39 Å) Cu–C bond lengths. There are two inequivalent C+0.33- sites. In the first C+0.33- site, C+0.33- is bonded in a distorted linear geometry to one Cu2+ and one C+0.33- atom. The C–C bond length is 1.25 Å. In the second C+0.33- site, C+0.33- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent C+0.33- atoms. There is one shorter (1.25 Å) and one longer (1.34 Å) C–C bond length.
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