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DOE OSTI · 1316041

Materials Data on SmAl by Materials Project

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Abstract

SmAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Sm–Al bond distances ranging from 3.13–3.43 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Sm–Al bond distances ranging from 3.13–3.57 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight Sm and two equivalent Al atoms. Both Al–Al bond lengths are 2.75 Å. In the second Al site, Al is bonded to eight Sm and four Al atoms to form a mixture of distorted corner, edge, and face-sharing AlSm8Al4 cuboctahedra. Both Al–Al bond lengths are 2.85 Å.

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36 MATERIALS SCIENCEAl-Smcrystal structureSmAl

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2020-07-15. Materials Data on SmAl by Materials Project. https://doi.org/10.17188/1316041

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