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DOE OSTI · 1350278

Materials Data on YbH3Pd by Materials Project

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Abstract

YbPdH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent H atoms to form YbH12 cuboctahedra that share corners with twelve equivalent YbH12 cuboctahedra, faces with six equivalent YbH12 cuboctahedra, and faces with eight equivalent PdH6 octahedra. All Yb–H bond lengths are 2.62 Å. Pd is bonded to six equivalent H atoms to form PdH6 octahedra that share corners with six equivalent PdH6 octahedra and faces with eight equivalent YbH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–H bond lengths are 1.85 Å. H is bonded to four equivalent Yb and two equivalent Pd atoms to form a mixture of face, edge, and corner-sharing HYb4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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36 MATERIALS SCIENCEcrystal structureH-Pd-YbYbH3Pd

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2020-07-15. Materials Data on YbH3Pd by Materials Project. https://doi.org/10.17188/1350278

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