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Title: Materials Data on BaTaB by Materials Project

Abstract

BaTaB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded to six equivalent Ta and four equivalent B atoms to form a mixture of distorted face and corner-sharing BaTa6B4 tetrahedra. All Ba–Ta bond lengths are 3.19 Å. All Ba–B bond lengths are 2.76 Å. Ta is bonded in a 4-coordinate geometry to six equivalent Ba and four equivalent B atoms. All Ta–B bond lengths are 2.76 Å. B is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Ta atoms.

Publication Date:
Other Number(s):
mp-631570
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; BaTaB; B-Ba-Ta
OSTI Identifier:
1279258
DOI:
10.17188/1279258

Citation Formats

The Materials Project. Materials Data on BaTaB by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279258.
The Materials Project. Materials Data on BaTaB by Materials Project. United States. doi:10.17188/1279258.
The Materials Project. 2020. "Materials Data on BaTaB by Materials Project". United States. doi:10.17188/1279258. https://www.osti.gov/servlets/purl/1279258. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1279258,
title = {Materials Data on BaTaB by Materials Project},
author = {The Materials Project},
abstractNote = {BaTaB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded to six equivalent Ta and four equivalent B atoms to form a mixture of distorted face and corner-sharing BaTa6B4 tetrahedra. All Ba–Ta bond lengths are 3.19 Å. All Ba–B bond lengths are 2.76 Å. Ta is bonded in a 4-coordinate geometry to six equivalent Ba and four equivalent B atoms. All Ta–B bond lengths are 2.76 Å. B is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Ta atoms.},
doi = {10.17188/1279258},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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