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DOE OSTI · 1733571

Materials Data on PuOs2 by Materials Project

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Abstract

PuOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Pu–Os bond distances ranging from 3.11–3.16 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Pu3+ and six equivalent Os+1.50- atoms to form a mixture of face, edge, and corner-sharing OsPu6Os6 cuboctahedra. All Os–Os bond lengths are 2.70 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Pu3+ and six Os+1.50- atoms to form a mixture of face, edge, and corner-sharing OsPu6Os6 cuboctahedra. There are two shorter (2.60 Å) and two longer (2.74 Å) Os–Os bond lengths.

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36 MATERIALS SCIENCEcrystal structureOs-PuPuOs2

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2018-07-18. Materials Data on PuOs2 by Materials Project. https://doi.org/10.17188/1733571

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