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DOE OSTI · 1725470

Materials Data on HoRu3C by Materials Project

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Abstract

HoRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Ru atoms to form HoRu12 cuboctahedra that share corners with twelve equivalent HoRu12 cuboctahedra, faces with six equivalent HoRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Ho–Ru bond lengths are 2.94 Å. Ru is bonded to four equivalent Ho and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing RuHo4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.08 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent HoRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Ho-Rucrystal structureHoRu3C

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2020-05-03. Materials Data on HoRu3C by Materials Project. https://doi.org/10.17188/1725470

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