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DOE OSTI · 1686640

Materials Data on Mg16Al12O by Materials Project

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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.

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36 MATERIALS SCIENCEAl-Mg-Ocrystal structureMg16Al12O

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2020-04-30. Materials Data on Mg16Al12O by Materials Project. https://doi.org/10.17188/1686640

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