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Title: Materials Data on C by Materials Project

Abstract

C crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are sixteen inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.37–1.59 Å. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.38–1.43 Å. In the third C site, C is bonded in a tetrahedral geometry to four C atoms. There are a spread of C–C bond distances ranging from 1.50–1.73 Å. In the fourth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.44 Å) and one longer (1.49 Å) C–C bond length. In the fifth C site, C is bonded in a trigonal non-coplanar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.36–1.45 Å. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.39 Å. In the seventh C site, C is bonded in a trigonalmore » planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.39–1.52 Å. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.37 Å. In the ninth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the tenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.52 Å. In the eleventh C site, C is bonded in a distorted trigonal planar geometry to three C atoms. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.35 Å) and one longer (1.51 Å) C–C bond length. In the thirteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.55 Å. In the fourteenth C site, C is bonded in a tetrahedral geometry to four C atoms. In the fifteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.51 Å. In the sixteenth C site, C is bonded in a trigonal non-coplanar geometry to three C atoms.« less

Publication Date:
Other Number(s):
mp-568028
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:
1274186
DOI:
10.17188/1274186

Citation Formats

The Materials Project. Materials Data on C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274186.
The Materials Project. Materials Data on C by Materials Project. United States. doi:10.17188/1274186.
The Materials Project. 2020. "Materials Data on C by Materials Project". United States. doi:10.17188/1274186. https://www.osti.gov/servlets/purl/1274186. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1274186,
title = {Materials Data on C by Materials Project},
author = {The Materials Project},
abstractNote = {C crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are sixteen inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.37–1.59 Å. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.38–1.43 Å. In the third C site, C is bonded in a tetrahedral geometry to four C atoms. There are a spread of C–C bond distances ranging from 1.50–1.73 Å. In the fourth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.44 Å) and one longer (1.49 Å) C–C bond length. In the fifth C site, C is bonded in a trigonal non-coplanar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.36–1.45 Å. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.39 Å. In the seventh C site, C is bonded in a trigonal planar geometry to three C atoms. There are a spread of C–C bond distances ranging from 1.39–1.52 Å. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.37 Å. In the ninth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the tenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.52 Å. In the eleventh C site, C is bonded in a distorted trigonal planar geometry to three C atoms. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.35 Å) and one longer (1.51 Å) C–C bond length. In the thirteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.55 Å. In the fourteenth C site, C is bonded in a tetrahedral geometry to four C atoms. In the fifteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.51 Å. In the sixteenth C site, C is bonded in a trigonal non-coplanar geometry to three C atoms.},
doi = {10.17188/1274186},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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