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DOE OSTI · 1315826

Materials Data on Pu3Au by Materials Project

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Abstract

Pu3Au is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to four equivalent Pu and four equivalent Au atoms to form a mixture of distorted corner, edge, and face-sharing PuPu4Au4 tetrahedra. All Pu–Pu bond lengths are 2.92 Å. All Pu–Au bond lengths are 2.92 Å. In the second Pu site, Pu is bonded in a 8-coordinate geometry to eight equivalent Pu and six equivalent Au atoms. All Pu–Au bond lengths are 3.37 Å. Au is bonded in a distorted body-centered cubic geometry to fourteen Pu atoms.

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36 MATERIALS SCIENCEAu-Pucrystal structurePu3Au

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2020-07-24. Materials Data on Pu3Au by Materials Project. https://doi.org/10.17188/1315826

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