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Title: Materials Data on ZrAlW by Materials Project

Abstract

ZrAlW is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to four equivalent W atoms to form distorted ZrW4 tetrahedra that share corners with four equivalent AlW4 tetrahedra, corners with twelve equivalent ZrW4 tetrahedra, and edges with six equivalent AlW4 tetrahedra. All Zr–W bond lengths are 2.76 Å. W is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All W–Al bond lengths are 2.76 Å. Al is bonded to four equivalent W atoms to form distorted AlW4 tetrahedra that share corners with four equivalent ZrW4 tetrahedra, corners with twelve equivalent AlW4 tetrahedra, and edges with six equivalent ZrW4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631503
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; ZrAlW; Al-W-Zr
OSTI Identifier:
1279192
DOI:
10.17188/1279192

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ZrAlW by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279192.
Persson, Kristin, & Project, Materials. Materials Data on ZrAlW by Materials Project. United States. doi:10.17188/1279192.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ZrAlW by Materials Project". United States. doi:10.17188/1279192. https://www.osti.gov/servlets/purl/1279192. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1279192,
title = {Materials Data on ZrAlW by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ZrAlW is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to four equivalent W atoms to form distorted ZrW4 tetrahedra that share corners with four equivalent AlW4 tetrahedra, corners with twelve equivalent ZrW4 tetrahedra, and edges with six equivalent AlW4 tetrahedra. All Zr–W bond lengths are 2.76 Å. W is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All W–Al bond lengths are 2.76 Å. Al is bonded to four equivalent W atoms to form distorted AlW4 tetrahedra that share corners with four equivalent ZrW4 tetrahedra, corners with twelve equivalent AlW4 tetrahedra, and edges with six equivalent ZrW4 tetrahedra.},
doi = {10.17188/1279192},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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