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Title: Materials Data on Er5Mg24 by Materials Project

Abstract

Mg24Er5 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Er atoms. There are a spread of Mg–Mg bond distances ranging from 2.87–3.41 Å. There are three shorter (3.46 Å) and one longer (3.57 Å) Mg–Er bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Er atoms. There are two shorter (3.31 Å) and four longer (3.34 Å) Mg–Mg bond lengths. There are one shorter (3.22 Å) and one longer (3.65 Å) Mg–Er bond lengths. There are two inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to fifteen Mg and one Er atom. The Er–Er bond length is 3.63 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Er atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-2218
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; Er5Mg24; Er-Mg
OSTI Identifier:
1197407
DOI:
10.17188/1197407

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Er5Mg24 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197407.
Persson, Kristin, & Project, Materials. Materials Data on Er5Mg24 by Materials Project. United States. doi:10.17188/1197407.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Er5Mg24 by Materials Project". United States. doi:10.17188/1197407. https://www.osti.gov/servlets/purl/1197407. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1197407,
title = {Materials Data on Er5Mg24 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mg24Er5 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Er atoms. There are a spread of Mg–Mg bond distances ranging from 2.87–3.41 Å. There are three shorter (3.46 Å) and one longer (3.57 Å) Mg–Er bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Er atoms. There are two shorter (3.31 Å) and four longer (3.34 Å) Mg–Mg bond lengths. There are one shorter (3.22 Å) and one longer (3.65 Å) Mg–Er bond lengths. There are two inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to fifteen Mg and one Er atom. The Er–Er bond length is 3.63 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Er atoms.},
doi = {10.17188/1197407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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