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DOE OSTI · 1725325

Materials Data on Na3Pd by Materials Project

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Abstract

Na3Pd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing NaNa4Pd4 tetrahedra. All Na–Na bond lengths are 3.13 Å. All Na–Pd bond lengths are 3.13 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Pd atoms. All Na–Pd bond lengths are 3.62 Å. Pd is bonded in a distorted body-centered cubic geometry to fourteen Na atoms.

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36 MATERIALS SCIENCEcrystal structureNa-PdNa3Pd

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2020-05-02. Materials Data on Na3Pd by Materials Project. https://doi.org/10.17188/1725325

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