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DOE OSTI · 1262974

Materials Data on PuRh3C by Materials Project

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Abstract

PuRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Rh atoms to form PuRh12 cuboctahedra that share corners with twelve equivalent PuRh12 cuboctahedra, faces with six equivalent PuRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Pu–Rh bond lengths are 2.98 Å. Rh is bonded to four equivalent Pu and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RhPu4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.11 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent PuRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Pu-Rhcrystal structurePuRh3C

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2020-08-03. Materials Data on PuRh3C by Materials Project. https://doi.org/10.17188/1262974

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