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DOE OSTI · 1739258

Materials Data on PrUN2 by Materials Project

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Abstract

UPrN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U3+ is bonded to six equivalent N3- atoms to form UN6 octahedra that share corners with six equivalent PrN6 octahedra, edges with six equivalent UN6 octahedra, and edges with six equivalent PrN6 octahedra. The corner-sharing octahedral tilt angles are 10°. All U–N bond lengths are 2.36 Å. Pr3+ is bonded to six equivalent N3- atoms to form PrN6 octahedra that share corners with six equivalent UN6 octahedra, edges with six equivalent UN6 octahedra, and edges with six equivalent PrN6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Pr–N bond lengths are 2.68 Å. N3- is bonded to three equivalent U3+ and three equivalent Pr3+ atoms to form a mixture of edge and corner-sharing NPr3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureN-Pr-UPrUN2

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2020-05-03. Materials Data on PrUN2 by Materials Project. https://doi.org/10.17188/1739258

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