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DOE OSTI · 1680230

Materials Data on CF by Materials Project

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Abstract

CF is beta Sn-like structured and crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two 3,3,4,4,7,7,8,8,11,11,12,12-dodecafluorotetracyclo-(8.2.0.02,5.06,9)dodeca-1,5,9-triene molecules. there are four inequivalent C sites. In the first C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.40 Å) and one longer (1.52 Å) C–C bond length. In the second C site, C is bonded in a water-like geometry to one C and two equivalent F atoms. The C–C bond length is 1.51 Å. Both C–F bond lengths are 1.36 Å. In the third C site, C is bonded in a distorted trigonal planar geometry to three C atoms. In the fourth C site, C is bonded in a water-like geometry to one C and two equivalent F atoms. Both C–F bond lengths are 1.36 Å. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one C atom. In the second F site, F is bonded in a single-bond geometry to one C atom.

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36 MATERIALS SCIENCEC-FCFcrystal structure

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2020-05-01. Materials Data on CF by Materials Project. https://doi.org/10.17188/1680230

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