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DOE OSTI · 1748167

Materials Data on PuUN2 by Materials Project

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Abstract

PuUN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pu3+ is bonded to six equivalent N3- atoms to form PuN6 octahedra that share corners with six equivalent UN6 octahedra, edges with six equivalent PuN6 octahedra, and edges with six equivalent UN6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Pu–N bond lengths are 2.49 Å. U3+ is bonded to six equivalent N3- atoms to form UN6 octahedra that share corners with six equivalent PuN6 octahedra, edges with six equivalent PuN6 octahedra, and edges with six equivalent UN6 octahedra. The corner-sharing octahedral tilt angles are 3°. All U–N bond lengths are 2.39 Å. N3- is bonded to three equivalent Pu3+ and three equivalent U3+ atoms to form a mixture of corner and edge-sharing NPu3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureN-Pu-UPuUN2

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2020-06-04. Materials Data on PuUN2 by Materials Project. https://doi.org/10.17188/1748167

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