U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-568028
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; C; C
- OSTI Identifier:
- 1274186
- DOI:
- https://doi.org/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:https://doi.org/10.17188/1274186
The Materials Project. 2020.
"Materials Data on C by Materials Project". United States. doi:https://doi.org/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}
}