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DOE OSTI · 1266939

Materials Data on TmBRh3 by Materials Project

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Abstract

TmRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Rh atoms to form TmRh12 cuboctahedra that share corners with twelve equivalent TmRh12 cuboctahedra, faces with six equivalent TmRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Tm–Rh bond lengths are 2.96 Å. Rh is bonded to four equivalent Tm and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing RhTm4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.09 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 TmRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEB-Rh-Tmcrystal structureTmBRh3

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2020-07-16. Materials Data on TmBRh3 by Materials Project. https://doi.org/10.17188/1266939

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36 MATERIALS SCIENCE↗