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Title: Materials Data on CsHC2 by Materials Project

Abstract

CsC2H crystallizes in the trigonal R3c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to nine C1- and one H1+ atom. There are a spread of Cs–C bond distances ranging from 3.38–3.71 Å. The Cs–H bond length is 3.40 Å. There are two inequivalent C1- sites. In the first C1- site, C1- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one C1-, and one H1+ atom. The C–C bond length is 1.25 Å. The C–H bond length is 1.08 Å. In the second C1- site, C1- is bonded in a 6-coordinate geometry to five equivalent Cs1+ and one C1- atom. H1+ is bonded in a single-bond geometry to one Cs1+ and one C1- atom.

Authors:
Publication Date:
Other Number(s):
mp-31476
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; CsHC2; C-Cs-H
OSTI Identifier:
1205691
DOI:
https://doi.org/10.17188/1205691

Citation Formats

The Materials Project. Materials Data on CsHC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205691.
The Materials Project. Materials Data on CsHC2 by Materials Project. United States. doi:https://doi.org/10.17188/1205691
The Materials Project. 2020. "Materials Data on CsHC2 by Materials Project". United States. doi:https://doi.org/10.17188/1205691. https://www.osti.gov/servlets/purl/1205691. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1205691,
title = {Materials Data on CsHC2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsC2H crystallizes in the trigonal R3c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to nine C1- and one H1+ atom. There are a spread of Cs–C bond distances ranging from 3.38–3.71 Å. The Cs–H bond length is 3.40 Å. There are two inequivalent C1- sites. In the first C1- site, C1- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one C1-, and one H1+ atom. The C–C bond length is 1.25 Å. The C–H bond length is 1.08 Å. In the second C1- site, C1- is bonded in a 6-coordinate geometry to five equivalent Cs1+ and one C1- atom. H1+ is bonded in a single-bond geometry to one Cs1+ and one C1- atom.},
doi = {10.17188/1205691},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}