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DOE OSTI · 1187305

Materials Data on PrRh3C by Materials Project

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Abstract

PrRh3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Rh atoms to form PrRh12 cuboctahedra that share corners with twelve equivalent PrRh12 cuboctahedra, faces with six equivalent PrRh12 cuboctahedra, and faces with eight equivalent CRh6 octahedra. All Pr–Rh bond lengths are 3.01 Å. Rh is bonded to four equivalent Pr and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RhPr4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–C bond lengths are 2.13 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 PrRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Pr-Rhcrystal structurePrRh3C

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2020-07-15. Materials Data on PrRh3C by Materials Project. https://doi.org/10.17188/1187305

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