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DOE OSTI · 1725341

Materials Data on PrYAl4 by Materials Project

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Abstract

PrYAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Al atoms. All Pr–Y bond lengths are 3.46 Å. All Pr–Al bond lengths are 3.31 Å. Y is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Al atoms. All Y–Al bond lengths are 3.31 Å. Al is bonded to three equivalent Pr, three equivalent Y, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlPr3Y3Al6 cuboctahedra. There are three shorter (2.82 Å) and three longer (2.83 Å) Al–Al bond lengths.

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36 MATERIALS SCIENCEAl-Pr-Ycrystal structurePrYAl4

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2020-05-04. Materials Data on PrYAl4 by Materials Project. https://doi.org/10.17188/1725341

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