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DOE OSTI · 1195023

Materials Data on PuRu3C by Materials Project

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Abstract

PuRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Ru atoms to form PuRu12 cuboctahedra that share corners with twelve equivalent PuRu12 cuboctahedra, faces with six equivalent PuRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Pu–Ru bond lengths are 2.95 Å. Ru is bonded to four equivalent Pu and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RuPu4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.08 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent PuRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Pu-Rucrystal structurePuRu3C

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2020-07-16. Materials Data on PuRu3C by Materials Project. https://doi.org/10.17188/1195023

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