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Title: Materials Data on Mg16MnAl12 by Materials Project

Abstract

Mg16MnAl12 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 3.07–3.15 Å. There are a spread of Mg–Al bond distances ranging from 2.94–3.15 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Mn, and six equivalent Al atoms. The Mg–Mn bond length is 3.00 Å. All Mg–Al bond lengths are 3.00 Å. Mn is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Mn–Al bond lengths are 3.14 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Mn, and three equivalent Al atoms. There are one shorter (2.64 Å) and two longer (2.72 Å) Al–Al bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1185729
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; Mg16MnAl12; Al-Mg-Mn
OSTI Identifier:
1672600
DOI:
https://doi.org/10.17188/1672600

Citation Formats

The Materials Project. Materials Data on Mg16MnAl12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672600.
The Materials Project. Materials Data on Mg16MnAl12 by Materials Project. United States. doi:https://doi.org/10.17188/1672600
The Materials Project. 2020. "Materials Data on Mg16MnAl12 by Materials Project". United States. doi:https://doi.org/10.17188/1672600. https://www.osti.gov/servlets/purl/1672600. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1672600,
title = {Materials Data on Mg16MnAl12 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg16MnAl12 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 3.07–3.15 Å. There are a spread of Mg–Al bond distances ranging from 2.94–3.15 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Mn, and six equivalent Al atoms. The Mg–Mn bond length is 3.00 Å. All Mg–Al bond lengths are 3.00 Å. Mn is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Mn–Al bond lengths are 3.14 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Mn, and three equivalent Al atoms. There are one shorter (2.64 Å) and two longer (2.72 Å) Al–Al bond lengths.},
doi = {10.17188/1672600},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}