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Title: Materials Data on BaScIr by Materials Project

Abstract

BaScIr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ir atoms. All Ba–Sc bond lengths are 2.96 Å. All Ba–Ir bond lengths are 2.96 Å. Sc is bonded in a 10-coordinate geometry to four equivalent Ba and six equivalent Ir atoms. All Sc–Ir bond lengths are 3.42 Å. Ir is bonded to four equivalent Ba and six equivalent Sc atoms to form a mixture of distorted corner and face-sharing IrBa4Sc6 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631492
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; BaScIr; Ba-Ir-Sc
OSTI Identifier:
1279182
DOI:
10.17188/1279182

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BaScIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279182.
Persson, Kristin, & Project, Materials. Materials Data on BaScIr by Materials Project. United States. doi:10.17188/1279182.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BaScIr by Materials Project". United States. doi:10.17188/1279182. https://www.osti.gov/servlets/purl/1279182. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279182,
title = {Materials Data on BaScIr by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BaScIr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ir atoms. All Ba–Sc bond lengths are 2.96 Å. All Ba–Ir bond lengths are 2.96 Å. Sc is bonded in a 10-coordinate geometry to four equivalent Ba and six equivalent Ir atoms. All Sc–Ir bond lengths are 3.42 Å. Ir is bonded to four equivalent Ba and six equivalent Sc atoms to form a mixture of distorted corner and face-sharing IrBa4Sc6 tetrahedra.},
doi = {10.17188/1279182},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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