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DOE OSTI · 1708347

Materials Data on ErRu3C by Materials Project

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Abstract

ErRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Ru atoms to form ErRu12 cuboctahedra that share corners with twelve equivalent ErRu12 cuboctahedra, faces with six equivalent ErRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Er–Ru bond lengths are 2.93 Å. Ru is bonded to four equivalent Er and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RuEr4C2 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 ErRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Er-Rucrystal structureErRu3C

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2020-05-02. Materials Data on ErRu3C by Materials Project. https://doi.org/10.17188/1708347

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