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Title: Materials Data on K3Ba by Materials Project

Abstract

K3Ba is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a body-centered cubic geometry to four equivalent K and four equivalent Ba atoms. All K–K bond lengths are 4.54 Å. All K–Ba bond lengths are 4.54 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Ba is bonded in a body-centered cubic geometry to eight equivalent K atoms.

Publication Date:
Other Number(s):
mp-1184887
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; K3Ba; Ba-K
OSTI Identifier:
1656325
DOI:
https://doi.org/10.17188/1656325

Citation Formats

The Materials Project. Materials Data on K3Ba by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656325.
The Materials Project. Materials Data on K3Ba by Materials Project. United States. doi:https://doi.org/10.17188/1656325
The Materials Project. 2020. "Materials Data on K3Ba by Materials Project". United States. doi:https://doi.org/10.17188/1656325. https://www.osti.gov/servlets/purl/1656325. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1656325,
title = {Materials Data on K3Ba by Materials Project},
author = {The Materials Project},
abstractNote = {K3Ba is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a body-centered cubic geometry to four equivalent K and four equivalent Ba atoms. All K–K bond lengths are 4.54 Å. All K–Ba bond lengths are 4.54 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Ba is bonded in a body-centered cubic geometry to eight equivalent K atoms.},
doi = {10.17188/1656325},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}