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DOE OSTI · 1204197

Materials Data on YBRh3 by Materials Project

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Abstract

YRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Rh atoms to form YRh12 cuboctahedra that share corners with twelve equivalent YRh12 cuboctahedra, faces with six equivalent YRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Y–Rh bond lengths are 2.98 Å. Rh is bonded to four equivalent Y and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhY4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.11 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 YRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEB-Rh-Ycrystal structureYBRh3

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2020-07-16. Materials Data on YBRh3 by Materials Project. https://doi.org/10.17188/1204197

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