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Title: Materials Data on HC by Materials Project

Abstract

CH crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four isobutene molecules. there are three inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There is two shorter (1.40 Å) and one longer (1.51 Å) C–C bond length. In the second C site, C is bonded in a distorted water-like geometry to one C and two equivalent H atoms. Both C–H bond lengths are 1.10 Å. In the third C site, C is bonded in a distorted single-bond geometry to one C and one H atom. The C–H bond length is 1.09 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C atom. In the second H site, H is bonded in a single-bond geometry to one C atom.

Authors:
Publication Date:
Other Number(s):
mp-995197
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; HC; C-H
OSTI Identifier:
1317022
DOI:
https://doi.org/10.17188/1317022

Citation Formats

The Materials Project. Materials Data on HC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317022.
The Materials Project. Materials Data on HC by Materials Project. United States. doi:https://doi.org/10.17188/1317022
The Materials Project. 2020. "Materials Data on HC by Materials Project". United States. doi:https://doi.org/10.17188/1317022. https://www.osti.gov/servlets/purl/1317022. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1317022,
title = {Materials Data on HC by Materials Project},
author = {The Materials Project},
abstractNote = {CH crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four isobutene molecules. there are three inequivalent C sites. In the first C site, C is bonded in a trigonal planar geometry to three C atoms. There is two shorter (1.40 Å) and one longer (1.51 Å) C–C bond length. In the second C site, C is bonded in a distorted water-like geometry to one C and two equivalent H atoms. Both C–H bond lengths are 1.10 Å. In the third C site, C is bonded in a distorted single-bond geometry to one C and one H atom. The C–H bond length is 1.09 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one C atom. In the second H site, H is bonded in a single-bond geometry to one C atom.},
doi = {10.17188/1317022},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}