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Title: Materials Data on Mg16Al12O by Materials Project

Abstract

Mg16Al12O 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 single-bond geometry to six equivalent Al and one O atom. All Mg–Al bond lengths are 2.92 Å. The Mg–O bond length is 1.99 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five equivalent Al atoms. There are a spread of Mg–Al bond distances ranging from 2.92–2.99 Å. Al is bonded in a 10-coordinate geometry to seven Mg and three equivalent Al atoms. There are two shorter (2.87 Å) and one longer (2.95 Å) Al–Al bond lengths. O is bonded in a tetrahedral geometry to four equivalent Mg atoms.

Publication Date:
Other Number(s):
mp-1185684
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; Mg16Al12O; Al-Mg-O
OSTI Identifier:
1686640
DOI:
https://doi.org/10.17188/1686640

Citation Formats

The Materials Project. Materials Data on Mg16Al12O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686640.
The Materials Project. Materials Data on Mg16Al12O by Materials Project. United States. doi:https://doi.org/10.17188/1686640
The Materials Project. 2020. "Materials Data on Mg16Al12O by Materials Project". United States. doi:https://doi.org/10.17188/1686640. https://www.osti.gov/servlets/purl/1686640. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1686640,
title = {Materials Data on Mg16Al12O by Materials Project},
author = {The Materials Project},
abstractNote = {Mg16Al12O 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 single-bond geometry to six equivalent Al and one O atom. All Mg–Al bond lengths are 2.92 Å. The Mg–O bond length is 1.99 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five equivalent Al atoms. There are a spread of Mg–Al bond distances ranging from 2.92–2.99 Å. Al is bonded in a 10-coordinate geometry to seven Mg and three equivalent Al atoms. There are two shorter (2.87 Å) and one longer (2.95 Å) Al–Al bond lengths. O is bonded in a tetrahedral geometry to four equivalent Mg atoms.},
doi = {10.17188/1686640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}