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Title: Materials Data on LiMgAs by Materials Project

Abstract

LiMgAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent As3- atoms to form LiAs4 tetrahedra that share corners with four equivalent MgAs4 tetrahedra, corners with twelve equivalent LiAs4 tetrahedra, and edges with six equivalent MgAs4 tetrahedra. All Li–As bond lengths are 2.69 Å. Mg2+ is bonded to four equivalent As3- atoms to form MgAs4 tetrahedra that share corners with four equivalent LiAs4 tetrahedra, corners with twelve equivalent MgAs4 tetrahedra, and edges with six equivalent LiAs4 tetrahedra. All Mg–As bond lengths are 2.69 Å. As3- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Mg2+ atoms.

Publication Date:
Other Number(s):
mp-12558
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; LiMgAs; As-Li-Mg
OSTI Identifier:
1188977
DOI:
https://doi.org/10.17188/1188977

Citation Formats

The Materials Project. Materials Data on LiMgAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188977.
The Materials Project. Materials Data on LiMgAs by Materials Project. United States. doi:https://doi.org/10.17188/1188977
The Materials Project. 2020. "Materials Data on LiMgAs by Materials Project". United States. doi:https://doi.org/10.17188/1188977. https://www.osti.gov/servlets/purl/1188977. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188977,
title = {Materials Data on LiMgAs by Materials Project},
author = {The Materials Project},
abstractNote = {LiMgAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent As3- atoms to form LiAs4 tetrahedra that share corners with four equivalent MgAs4 tetrahedra, corners with twelve equivalent LiAs4 tetrahedra, and edges with six equivalent MgAs4 tetrahedra. All Li–As bond lengths are 2.69 Å. Mg2+ is bonded to four equivalent As3- atoms to form MgAs4 tetrahedra that share corners with four equivalent LiAs4 tetrahedra, corners with twelve equivalent MgAs4 tetrahedra, and edges with six equivalent LiAs4 tetrahedra. All Mg–As bond lengths are 2.69 Å. As3- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Mg2+ atoms.},
doi = {10.17188/1188977},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}