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DOE OSTI · 1204223

Materials Data on PrBPd3 by Materials Project

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Abstract

PrPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Pd atoms to form PrPd12 cuboctahedra that share corners with twelve equivalent PrPd12 cuboctahedra, faces with six equivalent PrPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Pr–Pd bond lengths are 3.11 Å. Pd is bonded to four equivalent Pr and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdPr4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.20 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent PrPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEB-Pd-Prcrystal structurePrBPd3

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2020-07-16. Materials Data on PrBPd3 by Materials Project. https://doi.org/10.17188/1204223

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