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Title: 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:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1283610
Report Number(s):
mp-680372
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; C

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. https://doi.org/10.17188/1283610
The Materials Project. 2020. "Materials Data on C by Materials Project". United States. https://doi.org/10.17188/1283610. https://www.osti.gov/servlets/purl/1283610.
@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},
url = {https://www.osti.gov/biblio/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}
}