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DOE OSTI · 1683494

Materials Data on PuAg3 by Materials Project

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Abstract

PuAg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded in a distorted body-centered cubic geometry to fourteen Ag atoms. There are eight shorter (3.07 Å) and six longer (3.54 Å) Pu–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Pu and four equivalent Ag atoms to form a mixture of distorted edge, face, and corner-sharing AgPu4Ag4 tetrahedra. All Ag–Ag bond lengths are 3.07 Å. In the second Ag site, Ag is bonded in a 8-coordinate geometry to six equivalent Pu and eight equivalent Ag atoms.

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36 MATERIALS SCIENCEAg-Pucrystal structurePuAg3

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2020-05-03. Materials Data on PuAg3 by Materials Project. https://doi.org/10.17188/1683494

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