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Title: Materials Data on LiZrSc by Materials Project

Abstract

LiScZr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to six equivalent Sc and four equivalent Zr atoms. All Li–Sc bond lengths are 3.40 Å. All Li–Zr bond lengths are 2.95 Å. Sc is bonded in a distorted q6 geometry to six equivalent Li and four equivalent Zr atoms. All Sc–Zr bond lengths are 2.95 Å. Zr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sc atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631338
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; LiZrSc; Li-Sc-Zr
OSTI Identifier:
1279080
DOI:
10.17188/1279080

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiZrSc by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279080.
Persson, Kristin, & Project, Materials. Materials Data on LiZrSc by Materials Project. United States. doi:10.17188/1279080.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiZrSc by Materials Project". United States. doi:10.17188/1279080. https://www.osti.gov/servlets/purl/1279080. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1279080,
title = {Materials Data on LiZrSc by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiScZr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to six equivalent Sc and four equivalent Zr atoms. All Li–Sc bond lengths are 3.40 Å. All Li–Zr bond lengths are 2.95 Å. Sc is bonded in a distorted q6 geometry to six equivalent Li and four equivalent Zr atoms. All Sc–Zr bond lengths are 2.95 Å. Zr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sc atoms.},
doi = {10.17188/1279080},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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