DOE OSTI · 1729181
Materials Data on C by Materials Project
Abstract
C is Copper structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of four fullerene molecules. there are ten inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and two longer (1.45 Å) C–C bond length. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and two longer (1.45 Å) C–C bond length. In the third C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and one longer (1.46 Å) C–C bond length. In the fourth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and two longer (1.45 Å) C–C bond length. In the fifth C site, C is bonded in a trigonal planar geometry to three C atoms. Both C–C bond lengths are 1.45 Å. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and one longer (1.45 Å) C–C bond length. In the seventh C site, C is bonded in a trigonal planar geometry to three C atoms. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. In the ninth C site, C is bonded in a trigonal planar geometry to three C atoms. In the tenth C site, C is bonded in a trigonal planar geometry to three C atoms.
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2019-01-12. Materials Data on C by Materials Project. https://doi.org/10.17188/1729181
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