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DOE OSTI · 1192439

Materials Data on MnAl6 by Materials Project

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Abstract

Al6Mn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mn is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Mn–Al bond distances ranging from 2.43–2.64 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to one Mn and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.53–2.98 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Mn and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.88 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to two equivalent Mn and nine Al atoms. The Al–Al bond length is 2.61 Å.

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36 MATERIALS SCIENCEAl-Mncrystal structureMnAl6

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2020-07-16. Materials Data on MnAl6 by Materials Project. https://doi.org/10.17188/1192439

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