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DOE OSTI · 1745184

Materials Data on UBRh3 by Materials Project

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Abstract

URh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded to twelve equivalent Rh atoms to form URh12 cuboctahedra that share corners with twelve equivalent URh12 cuboctahedra, faces with six equivalent URh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All U–Rh bond lengths are 2.99 Å. Rh is bonded to four equivalent U and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing RhU4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.12 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent URh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEB-Rh-Ucrystal structureUBRh3

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2020-05-02. Materials Data on UBRh3 by Materials Project. https://doi.org/10.17188/1745184

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