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DOE OSTI · 1753645

Materials Data on Na3Au by Materials Project

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Abstract

Na3Au 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 Au atoms to form a mixture of distorted face, edge, and corner-sharing NaNa4Au4 tetrahedra. All Na–Na bond lengths are 3.19 Å. All Na–Au bond lengths are 3.19 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Au atoms. All Na–Au bond lengths are 3.68 Å. Au is bonded in a body-centered cubic geometry to fourteen Na atoms.

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36 MATERIALS SCIENCEAu-Nacrystal structureNa3Au

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2020-05-03. Materials Data on Na3Au by Materials Project. https://doi.org/10.17188/1753645

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