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DOE OSTI · 1207269

Materials Data on HoBPd3 by Materials Project

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Abstract

HoPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Pd atoms to form HoPd12 cuboctahedra that share corners with twelve equivalent HoPd12 cuboctahedra, faces with six equivalent HoPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Ho–Pd bond lengths are 3.05 Å. Pd is bonded to four equivalent Ho and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing PdHo4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.16 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 HoPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEB-Ho-Pdcrystal structureHoBPd3

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2020-07-16. Materials Data on HoBPd3 by Materials Project. https://doi.org/10.17188/1207269

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