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Title: Materials Data on Mg16Al13 by Materials Project

Abstract

Mg16Al13 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 seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.89–3.18 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg and seven Al atoms. There are six shorter (3.10 Å) and one longer (3.14 Å) Mg–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to seven Mg and three equivalent Al atoms. There are one shorter (2.71 Å) and two longer (2.75 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a tetrahedral geometry to four equivalent Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-1094683
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg16Al13; Al-Mg
OSTI Identifier:
1672530
DOI:
https://doi.org/10.17188/1672530

Citation Formats

The Materials Project. Materials Data on Mg16Al13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672530.
The Materials Project. Materials Data on Mg16Al13 by Materials Project. United States. doi:https://doi.org/10.17188/1672530
The Materials Project. 2020. "Materials Data on Mg16Al13 by Materials Project". United States. doi:https://doi.org/10.17188/1672530. https://www.osti.gov/servlets/purl/1672530. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672530,
title = {Materials Data on Mg16Al13 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg16Al13 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 seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.05–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.89–3.18 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg and seven Al atoms. There are six shorter (3.10 Å) and one longer (3.14 Å) Mg–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to seven Mg and three equivalent Al atoms. There are one shorter (2.71 Å) and two longer (2.75 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a tetrahedral geometry to four equivalent Mg atoms.},
doi = {10.17188/1672530},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}