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DOE OSTI · 1207309

Materials Data on HoBRh3 by Materials Project

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Abstract

HoRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Rh atoms to form HoRh12 cuboctahedra that share corners with twelve equivalent HoRh12 cuboctahedra, faces with six equivalent HoRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Ho–Rh bond lengths are 2.97 Å. Rh is bonded to four equivalent Ho and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing RhHo4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.10 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 HoRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEB-Ho-Rhcrystal structureHoBRh3

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2020-07-16. Materials Data on HoBRh3 by Materials Project. https://doi.org/10.17188/1207309

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