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DOE OSTI · 1191756

Materials Data on NdRh3C by Materials Project

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Abstract

NdRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Rh atoms to form NdRh12 cuboctahedra that share corners with twelve equivalent NdRh12 cuboctahedra, faces with six equivalent NdRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Nd–Rh bond lengths are 3.00 Å. Rh is bonded to four equivalent Nd and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RhNd4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.12 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 NdRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Nd-Rhcrystal structureNdRh3C

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2020-07-16. Materials Data on NdRh3C by Materials Project. https://doi.org/10.17188/1191756

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