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DOE OSTI · 1286623

Materials Data on ScRu3C by Materials Project

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Abstract

ScRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Ru atoms to form ScRu12 cuboctahedra that share corners with twelve equivalent ScRu12 cuboctahedra, faces with six equivalent ScRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Sc–Ru bond lengths are 2.89 Å. Ru is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Ru–C bond lengths are 2.04 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 ScRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Ru-Sccrystal structureScRu3C

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2020-07-16. Materials Data on ScRu3C by Materials Project. https://doi.org/10.17188/1286623

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