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Title: Materials Data on CsBa3 by Materials Project

Abstract

CsBa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded in a body-centered cubic geometry to fourteen Ba atoms. There are eight shorter (4.52 Å) and six longer (5.22 Å) Cs–Ba bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a body-centered cubic geometry to four equivalent Cs and four equivalent Ba atoms. All Ba–Ba bond lengths are 4.52 Å. In the second Ba site, Ba is bonded in a distorted body-centered cubic geometry to six equivalent Cs and eight equivalent Ba atoms.

Authors:
Publication Date:
Other Number(s):
mp-1183948
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; CsBa3; Ba-Cs
OSTI Identifier:
1732746
DOI:
https://doi.org/10.17188/1732746

Citation Formats

The Materials Project. Materials Data on CsBa3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732746.
The Materials Project. Materials Data on CsBa3 by Materials Project. United States. doi:https://doi.org/10.17188/1732746
The Materials Project. 2020. "Materials Data on CsBa3 by Materials Project". United States. doi:https://doi.org/10.17188/1732746. https://www.osti.gov/servlets/purl/1732746. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732746,
title = {Materials Data on CsBa3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsBa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded in a body-centered cubic geometry to fourteen Ba atoms. There are eight shorter (4.52 Å) and six longer (5.22 Å) Cs–Ba bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a body-centered cubic geometry to four equivalent Cs and four equivalent Ba atoms. All Ba–Ba bond lengths are 4.52 Å. In the second Ba site, Ba is bonded in a distorted body-centered cubic geometry to six equivalent Cs and eight equivalent Ba atoms.},
doi = {10.17188/1732746},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}