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DOE OSTI · 1349812

Materials Data on HfBRh3 by Materials Project

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Abstract

HfRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded to twelve equivalent Rh atoms to form HfRh12 cuboctahedra that share corners with twelve equivalent HfRh12 cuboctahedra, faces with six equivalent HfRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Hf–Rh bond lengths are 2.92 Å. Rh is bonded to four equivalent Hf and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing RhHf4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.07 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 HfRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEB-Hf-Rhcrystal structureHfBRh3

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2020-07-16. Materials Data on HfBRh3 by Materials Project. https://doi.org/10.17188/1349812

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36 MATERIALS SCIENCE↗