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Title: Materials Data on Mg3Al8FeSi6 by Materials Project

Abstract

Al8Mg3FeSi6 is delta Molybdenum Boride-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 7-coordinate geometry to five Al and two equivalent Si atoms. There are one shorter (2.91 Å) and four longer (2.96 Å) Mg–Al bond lengths. Both Mg–Si bond lengths are 3.01 Å. Fe is bonded in a 9-coordinate geometry to three equivalent Al and six equivalent Si atoms. All Fe–Al bond lengths are 2.41 Å. All Fe–Si bond lengths are 2.41 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Al, and three equivalent Si atoms. All Al–Al bond lengths are 2.72 Å. All Al–Si bond lengths are 2.62 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to one Fe, four equivalent Al, and four equivalent Si atoms. All Al–Si bond lengths are 2.77 Å. In the third Al site, Al is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Si atoms. All Al–Si bond lengths are 2.62 Å. Si is bonded in a 7-coordinate geometry to one Mg, one Fe, and fivemore » Al atoms.« less

Publication Date:
Other Number(s):
mp-571315
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; Mg3Al8FeSi6; Al-Fe-Mg-Si
OSTI Identifier:
1276200
DOI:
10.17188/1276200

Citation Formats

The Materials Project. Materials Data on Mg3Al8FeSi6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276200.
The Materials Project. Materials Data on Mg3Al8FeSi6 by Materials Project. United States. doi:10.17188/1276200.
The Materials Project. 2020. "Materials Data on Mg3Al8FeSi6 by Materials Project". United States. doi:10.17188/1276200. https://www.osti.gov/servlets/purl/1276200. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1276200,
title = {Materials Data on Mg3Al8FeSi6 by Materials Project},
author = {The Materials Project},
abstractNote = {Al8Mg3FeSi6 is delta Molybdenum Boride-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 7-coordinate geometry to five Al and two equivalent Si atoms. There are one shorter (2.91 Å) and four longer (2.96 Å) Mg–Al bond lengths. Both Mg–Si bond lengths are 3.01 Å. Fe is bonded in a 9-coordinate geometry to three equivalent Al and six equivalent Si atoms. All Fe–Al bond lengths are 2.41 Å. All Fe–Si bond lengths are 2.41 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Al, and three equivalent Si atoms. All Al–Al bond lengths are 2.72 Å. All Al–Si bond lengths are 2.62 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to one Fe, four equivalent Al, and four equivalent Si atoms. All Al–Si bond lengths are 2.77 Å. In the third Al site, Al is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Si atoms. All Al–Si bond lengths are 2.62 Å. Si is bonded in a 7-coordinate geometry to one Mg, one Fe, and five Al atoms.},
doi = {10.17188/1276200},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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