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DOE OSTI · 1199453

Materials Data on PrAl4 by Materials Project

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Abstract

PrAl4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to sixteen Al atoms. There are eight shorter (3.29 Å) and eight longer (3.56 Å) Pr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four equivalent Pr and five Al atoms. There are one shorter (2.54 Å) and four longer (2.66 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Pr and eight Al atoms to form a mixture of distorted face, edge, and corner-sharing AlPr4Al8 cuboctahedra. All Al–Al bond lengths are 3.04 Å.

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36 MATERIALS SCIENCEAl-Prcrystal structurePrAl4

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2020-07-16. Materials Data on PrAl4 by Materials Project. https://doi.org/10.17188/1199453

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