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DOE OSTI · 1655609

Materials Data on Pu2Se3 by Materials Project

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Abstract

Pu2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing PuSe7 pentagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.88–2.96 Å. In the second Pu3+ site, Pu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pu–Se bond distances ranging from 2.96–3.45 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted corner and edge-sharing SePu5 square pyramids. In the second Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted corner and edge-sharing SePu5 square pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Pu3+ atoms.

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36 MATERIALS SCIENCEcrystal structurePu-SePu2Se3

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2019-01-12. Materials Data on Pu2Se3 by Materials Project. https://doi.org/10.17188/1655609

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