U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on C by Materials Project
Abstract
C crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three C sheets oriented in the (0, 0, 1) direction. there are six 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 1.41–1.45 Å. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.36 Å) and two longer (1.52 Å) C–C bond length. In the third C site, C is bonded to four C atoms to form a mixture of corner and edge-sharing CC4 tetrahedra. There is one shorter (1.51 Å) and two longer (1.60 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 (1.39 Å) and one longer (1.48 Å) C–C bond length. In the fifth 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 sixth C site, C is bonded in a trigonal planar geometry to three C atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-680372
- 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:
- 1283610
- DOI:
- https://doi.org/10.17188/1283610
Citation Formats
The Materials Project. Materials Data on C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283610.
The Materials Project. Materials Data on C by Materials Project. United States. doi:https://doi.org/10.17188/1283610
The Materials Project. 2020.
"Materials Data on C by Materials Project". United States. doi:https://doi.org/10.17188/1283610. https://www.osti.gov/servlets/purl/1283610. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1283610,
title = {Materials Data on C by Materials Project},
author = {The Materials Project},
abstractNote = {C crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three C sheets oriented in the (0, 0, 1) direction. there are six 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 1.41–1.45 Å. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.36 Å) and two longer (1.52 Å) C–C bond length. In the third C site, C is bonded to four C atoms to form a mixture of corner and edge-sharing CC4 tetrahedra. There is one shorter (1.51 Å) and two longer (1.60 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 (1.39 Å) and one longer (1.48 Å) C–C bond length. In the fifth 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 sixth C site, C is bonded in a trigonal planar geometry to three C atoms.},
doi = {10.17188/1283610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}