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Title: Materials Data on C by Materials Project

Abstract

C crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of two C ribbons oriented in the (1, 0, 0) direction. 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 1.40–1.45 Å. In the second C site, C is bonded to four C atoms to form edge-sharing CC4 tetrahedra. There is two shorter (1.53 Å) and two longer (1.61 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 two longer (1.45 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. Both C–C bond lengths are 1.45more » 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 1.40–1.45 Å. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and one longer (1.44 Å) C–C bond length. In the ninth 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 tenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.44 Å. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.48 Å. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.45 Å. In the thirteenth 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 fourteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the fifteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.40 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1147718
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:
1716449
DOI:
https://doi.org/10.17188/1716449

Citation Formats

The Materials Project. Materials Data on C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716449.
The Materials Project. Materials Data on C by Materials Project. United States. doi:https://doi.org/10.17188/1716449
The Materials Project. 2020. "Materials Data on C by Materials Project". United States. doi:https://doi.org/10.17188/1716449. https://www.osti.gov/servlets/purl/1716449. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1716449,
title = {Materials Data on C by Materials Project},
author = {The Materials Project},
abstractNote = {C crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of two C ribbons oriented in the (1, 0, 0) direction. 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 1.40–1.45 Å. In the second C site, C is bonded to four C atoms to form edge-sharing CC4 tetrahedra. There is two shorter (1.53 Å) and two longer (1.61 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 two longer (1.45 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. Both C–C bond lengths are 1.45 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 1.40–1.45 Å. In the eighth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.40 Å) and one longer (1.44 Å) C–C bond length. In the ninth 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 tenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.44 Å. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.48 Å. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.45 Å. In the thirteenth 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 fourteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the fifteenth C site, C is bonded in a trigonal planar geometry to three C atoms. In the sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.40 Å.},
doi = {10.17188/1716449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}