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DOE OSTI · 1187308

Materials Data on ScRh3C by Materials Project

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Abstract

ScRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Rh atoms to form ScRh12 cuboctahedra that share corners with twelve equivalent ScRh12 cuboctahedra, faces with six equivalent ScRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Sc–Rh bond lengths are 2.90 Å. Rh is bonded to four equivalent Sc and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RhSc4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.05 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with six equivalent CRh6 octahedra and faces with eight equivalent ScRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Rh-Sccrystal structureScRh3C

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2020-07-16. Materials Data on ScRh3C by Materials Project. https://doi.org/10.17188/1187308

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