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DOE OSTI · 1745160

Materials Data on SrH3Pd by Materials Project

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Abstract

SrPdH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent H atoms to form SrH12 cuboctahedra that share corners with twelve equivalent SrH12 cuboctahedra, faces with six equivalent SrH12 cuboctahedra, and faces with eight equivalent PdH6 octahedra. All Sr–H bond lengths are 2.72 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 SrH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–H bond lengths are 1.92 Å. H is bonded to four equivalent Sr and two equivalent Pd atoms to form a mixture of corner, edge, and face-sharing HSr4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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36 MATERIALS SCIENCEcrystal structureH-Pd-SrSrH3Pd

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2020-05-04. Materials Data on SrH3Pd by Materials Project. https://doi.org/10.17188/1745160

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