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DOE OSTI · 1263141

Materials Data on PrBRh3 by Materials Project

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Abstract

PrRh3B 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 BRh6 octahedra. All Pr–Rh bond lengths are 3.02 Å. Rh is bonded to four equivalent Pr and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing RhPr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.14 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent PrRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEB-Pr-Rhcrystal structurePrBRh3

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2020-07-16. Materials Data on PrBRh3 by Materials Project. https://doi.org/10.17188/1263141

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