Materials Data on CF by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1680230
- Report Number(s):
- mp-1214158
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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