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DOE OSTI · 1197609

Materials Data on ThRu3C by Materials Project

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Abstract

ThRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ru atoms to form ThRu12 cuboctahedra that share corners with twelve equivalent ThRu12 cuboctahedra, faces with six equivalent ThRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Th–Ru bond lengths are 2.99 Å. Ru is bonded to four equivalent Th and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RuTh4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.12 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 ThRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Ru-Thcrystal structureThRu3C

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2020-07-16. Materials Data on ThRu3C by Materials Project. https://doi.org/10.17188/1197609

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