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Title: 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) andmore » 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.« less

Publication Date:
Other Number(s):
mp-1196583
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; C; C
OSTI Identifier:
1729181
DOI:
https://doi.org/10.17188/1729181

Citation Formats

The Materials Project. Materials Data on C by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729181.
The Materials Project. Materials Data on C by Materials Project. United States. doi:https://doi.org/10.17188/1729181
The Materials Project. 2019. "Materials Data on C by Materials Project". United States. doi:https://doi.org/10.17188/1729181. https://www.osti.gov/servlets/purl/1729181. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729181,
title = {Materials Data on C by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1729181},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}