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DOE OSTI · 1744983

Materials Data on SiAu3 by Materials Project

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Abstract

Au3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Au+1.33+ sites. In the first Au+1.33+ site, Au+1.33+ is bonded to four equivalent Au+1.33+ and four equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing AuSi4Au4 tetrahedra. All Au–Au bond lengths are 2.85 Å. All Au–Si bond lengths are 2.85 Å. In the second Au+1.33+ site, Au+1.33+ is bonded in a distorted body-centered cubic geometry to eight equivalent Au+1.33+ atoms. Si4- is bonded in a body-centered cubic geometry to eight equivalent Au+1.33+ atoms.

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36 MATERIALS SCIENCEAu-Sicrystal structureSiAu3

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2020-05-03. Materials Data on SiAu3 by Materials Project. https://doi.org/10.17188/1744983

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