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DOE OSTI · 1705239

Materials Data on PrAl by Materials Project

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Abstract

PrAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Pr–Al bond distances ranging from 3.19–3.48 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Pr–Al bond distances ranging from 3.17–3.62 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Pr and four Al atoms to form a mixture of distorted edge, face, and corner-sharing AlPr8Al4 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.91 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Pr and two equivalent Al atoms.

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36 MATERIALS SCIENCEAl-Prcrystal structurePrAl

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2019-01-11. Materials Data on PrAl by Materials Project. https://doi.org/10.17188/1705239

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