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DOE OSTI · 1743633

Materials Data on CeRu3C by Materials Project

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Abstract

CeRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Ru atoms to form CeRu12 cuboctahedra that share corners with twelve equivalent CeRu12 cuboctahedra, faces with six equivalent CeRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Ce–Ru bond lengths are 2.96 Å. Ru is bonded to four equivalent Ce and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing RuCe4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.09 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 CeRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Ce-RuCeRu3Ccrystal structure

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2020-05-02. Materials Data on CeRu3C by Materials Project. https://doi.org/10.17188/1743633

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