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Title: Materials Data on CsBeH3 by Materials Project

Abstract

CsBeH3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Cs–H bond distances ranging from 3.08–3.32 Å. Be2+ is bonded in a trigonal planar geometry to three H1- atoms. All Be–H bond lengths are 1.40 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Be2+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Be2+ atom.

Publication Date:
Other Number(s):
mp-24341
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsBeH3; Be-Cs-H
OSTI Identifier:
1200043
DOI:
https://doi.org/10.17188/1200043

Citation Formats

The Materials Project. Materials Data on CsBeH3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1200043.
The Materials Project. Materials Data on CsBeH3 by Materials Project. United States. doi:https://doi.org/10.17188/1200043
The Materials Project. 2020. "Materials Data on CsBeH3 by Materials Project". United States. doi:https://doi.org/10.17188/1200043. https://www.osti.gov/servlets/purl/1200043. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1200043,
title = {Materials Data on CsBeH3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsBeH3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Cs–H bond distances ranging from 3.08–3.32 Å. Be2+ is bonded in a trigonal planar geometry to three H1- atoms. All Be–H bond lengths are 1.40 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Be2+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Be2+ atom.},
doi = {10.17188/1200043},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}