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Title: Materials Data on C by Materials Project

Abstract

C crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one C sheet oriented in the (0, 0, 1) direction. there are forty-one inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to three C atoms. All C–C bond lengths are 1.42 Å. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and two longer (1.43 Å) C–C bond length. In the third C site, C is bonded in a trigonal planar geometry to three C atoms. All C–C bond lengths are 1.43 Å. In the fourth C site, C is bonded in a distorted bent 120 degrees geometry to three C atoms. Both C–C bond lengths are 1.42 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. Both C–C bond lengths are 1.42 Å. In the seventh C site, C ismore » bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the eighth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the ninth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and two longer (1.43 Å) C–C bond length. In the tenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.44 Å) C–C bond length. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 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 1.42 Å. In the fourteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the fifteenth 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 sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.41 Å) and one longer (1.42 Å) C–C bond length. In the seventeenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.45 Å) C–C bond length. In the eighteenth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.45 Å) C–C bond length. In the nineteenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.37 Å) and one longer (1.42 Å) C–C bond length. In the twentieth C site, C is bonded in a single-bond geometry to three C atoms. There is one shorter (1.40 Å) and one longer (1.44 Å) C–C bond length. In the twenty-first C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the twenty-second C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the twenty-third C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the twenty-fourth C site, C is bonded in a trigonal planar geometry to three C atoms. In the twenty-fifth C site, C is bonded in a trigonal planar geometry to three C atoms. In the twenty-sixth C site, C is bonded in a bent 120 degrees geometry to two C atoms. In the twenty-seventh C site, C is bonded in a bent 120 degrees geometry to two equivalent C atoms. In the twenty-eighth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the twenty-ninth C site, C is bonded in a bent 120 degrees geometry to two equivalent C atoms. In the thirtieth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-first C site, C is bonded in a distorted bent 120 degrees geometry to two equivalent C atoms. In the thirty-second C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the thirty-third C site, C is bonded in a distorted trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the thirty-fourth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-fifth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.40 Å. In the thirty-sixth 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 thirty-seventh C site, C is bonded in a single-bond geometry to three C atoms. In the thirty-eighth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-ninth C site, C is bonded in a bent 120 degrees geometry to three C atoms. The C–C bond length is 1.42 Å. In the fortieth 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 forty-first C site, C is bonded in a trigonal planar geometry to three C atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1096869
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:
1751698
DOI:
https://doi.org/10.17188/1751698

Citation Formats

The Materials Project. Materials Data on C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751698.
The Materials Project. Materials Data on C by Materials Project. United States. doi:https://doi.org/10.17188/1751698
The Materials Project. 2020. "Materials Data on C by Materials Project". United States. doi:https://doi.org/10.17188/1751698. https://www.osti.gov/servlets/purl/1751698. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1751698,
title = {Materials Data on C by Materials Project},
author = {The Materials Project},
abstractNote = {C crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one C sheet oriented in the (0, 0, 1) direction. there are forty-one inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to three C atoms. All C–C bond lengths are 1.42 Å. In the second C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and two longer (1.43 Å) C–C bond length. In the third C site, C is bonded in a trigonal planar geometry to three C atoms. All C–C bond lengths are 1.43 Å. In the fourth C site, C is bonded in a distorted bent 120 degrees geometry to three C atoms. Both C–C bond lengths are 1.42 Å. In the fifth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the sixth C site, C is bonded in a trigonal planar geometry to three C atoms. Both C–C bond lengths are 1.42 Å. In the seventh C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the eighth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is two shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the ninth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and two longer (1.43 Å) C–C bond length. In the tenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the eleventh C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.44 Å) C–C bond length. In the twelfth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 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 1.42 Å. In the fourteenth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the fifteenth 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 sixteenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.41 Å) and one longer (1.42 Å) C–C bond length. In the seventeenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.45 Å) C–C bond length. In the eighteenth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.45 Å) C–C bond length. In the nineteenth C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.37 Å) and one longer (1.42 Å) C–C bond length. In the twentieth C site, C is bonded in a single-bond geometry to three C atoms. There is one shorter (1.40 Å) and one longer (1.44 Å) C–C bond length. In the twenty-first C site, C is bonded in a trigonal planar geometry to three C atoms. There is one shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the twenty-second C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the twenty-third C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the twenty-fourth C site, C is bonded in a trigonal planar geometry to three C atoms. In the twenty-fifth C site, C is bonded in a trigonal planar geometry to three C atoms. In the twenty-sixth C site, C is bonded in a bent 120 degrees geometry to two C atoms. In the twenty-seventh C site, C is bonded in a bent 120 degrees geometry to two equivalent C atoms. In the twenty-eighth C site, C is bonded in a distorted trigonal planar geometry to three C atoms. The C–C bond length is 1.42 Å. In the twenty-ninth C site, C is bonded in a bent 120 degrees geometry to two equivalent C atoms. In the thirtieth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-first C site, C is bonded in a distorted bent 120 degrees geometry to two equivalent C atoms. In the thirty-second C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the thirty-third C site, C is bonded in a distorted trigonal planar geometry to three C atoms. The C–C bond length is 1.43 Å. In the thirty-fourth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-fifth C site, C is bonded in a trigonal planar geometry to three C atoms. The C–C bond length is 1.40 Å. In the thirty-sixth 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 thirty-seventh C site, C is bonded in a single-bond geometry to three C atoms. In the thirty-eighth C site, C is bonded in a trigonal planar geometry to three C atoms. In the thirty-ninth C site, C is bonded in a bent 120 degrees geometry to three C atoms. The C–C bond length is 1.42 Å. In the fortieth 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 forty-first C site, C is bonded in a trigonal planar geometry to three C atoms.},
doi = {10.17188/1751698},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}