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DOE OSTI · 1679837

Materials Data on DyRu3C by Materials Project

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Abstract

DyRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Ru atoms to form DyRu12 cuboctahedra that share corners with twelve equivalent DyRu12 cuboctahedra, faces with six equivalent DyRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Dy–Ru bond lengths are 2.94 Å. Ru is bonded to four equivalent Dy and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RuDy4C2 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 DyRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Dy-Rucrystal structureDyRu3C

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2020-05-04. Materials Data on DyRu3C by Materials Project. https://doi.org/10.17188/1679837

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