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DOE OSTI · 1673107

Materials Data on PuUC2 by Materials Project

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Abstract

PuUC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pu4+ is bonded to six equivalent C4- atoms to form PuC6 octahedra that share corners with six equivalent UC6 octahedra, edges with six equivalent PuC6 octahedra, and edges with six equivalent UC6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Pu–C bond lengths are 2.62 Å. U4+ is bonded to six equivalent C4- atoms to form UC6 octahedra that share corners with six equivalent PuC6 octahedra, edges with six equivalent PuC6 octahedra, and edges with six equivalent UC6 octahedra. The corner-sharing octahedral tilt angles are 7°. All U–C bond lengths are 2.40 Å. C4- is bonded to three equivalent Pu4+ and three equivalent U4+ atoms to form a mixture of corner and edge-sharing CPu3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Pu-Ucrystal structurePuUC2

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2020-05-02. Materials Data on PuUC2 by Materials Project. https://doi.org/10.17188/1673107

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