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Title: Materials Data on HC2 by Materials Project

Abstract

C2H crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two C2H ribbons oriented in the (0, 1, 0) direction. there are two inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a trigonal planar geometry to three C+0.50- atoms. There is two shorter (1.41 Å) and one longer (1.47 Å) C–C bond length. In the second C+0.50- site, C+0.50- is bonded in a distorted single-bond geometry to two equivalent C+0.50- and one H1+ atom. The C–H bond length is 1.09 Å. H1+ is bonded in a single-bond geometry to one C+0.50- atom.

Authors:
Publication Date:
Other Number(s):
mp-995184
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; HC2; C-H
OSTI Identifier:
1317014
DOI:
https://doi.org/10.17188/1317014

Citation Formats

The Materials Project. Materials Data on HC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317014.
The Materials Project. Materials Data on HC2 by Materials Project. United States. doi:https://doi.org/10.17188/1317014
The Materials Project. 2020. "Materials Data on HC2 by Materials Project". United States. doi:https://doi.org/10.17188/1317014. https://www.osti.gov/servlets/purl/1317014. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317014,
title = {Materials Data on HC2 by Materials Project},
author = {The Materials Project},
abstractNote = {C2H crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two C2H ribbons oriented in the (0, 1, 0) direction. there are two inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a trigonal planar geometry to three C+0.50- atoms. There is two shorter (1.41 Å) and one longer (1.47 Å) C–C bond length. In the second C+0.50- site, C+0.50- is bonded in a distorted single-bond geometry to two equivalent C+0.50- and one H1+ atom. The C–H bond length is 1.09 Å. H1+ is bonded in a single-bond geometry to one C+0.50- atom.},
doi = {10.17188/1317014},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}