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DOE OSTI · 1709865

Materials Data on PuVO3 by Materials Project

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Abstract

PuVO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pu–O bond distances ranging from 2.28–2.74 Å. V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 35–38°. There are a spread of V–O bond distances ranging from 2.05–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Pu3+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded to two equivalent Pu3+ and two equivalent V3+ atoms to form distorted corner-sharing OPu2V2 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureO-Pu-VPuVO3

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2020-05-02. Materials Data on PuVO3 by Materials Project. https://doi.org/10.17188/1709865

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