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DOE OSTI · 1187309

Materials Data on TmRh3C by Materials Project

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Abstract

TmRh3C 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 CRh6 octahedra. All Tm–Rh bond lengths are 2.94 Å. Rh is bonded to four equivalent Tm and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RhTm4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.08 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent TmRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Rh-Tmcrystal structureTmRh3C

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2020-07-15. Materials Data on TmRh3C by Materials Project. https://doi.org/10.17188/1187309

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36 MATERIALS SCIENCE↗