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DOE OSTI · 1718048

Materials Data on Si3Au10 by Materials Project

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Abstract

Au10Si3 is Tungsten structured and crystallizes in the cubic I-43m space group. The structure is zero-dimensional and consists of two Au10Si3 clusters. there are three inequivalent Au+0.40- sites. In the first Au+0.40- site, Au+0.40- is bonded in a trigonal non-coplanar geometry to three equivalent Si+1.33+ atoms. All Au–Si bond lengths are 2.58 Å. In the second Au+0.40- site, Au+0.40- is bonded in a distorted single-bond geometry to one Si+1.33+ atom. The Au–Si bond length is 2.54 Å. In the third Au+0.40- site, Au+0.40- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si+1.33+ atoms. All Au–Si bond lengths are 2.62 Å. Si+1.33+ is bonded in a 8-coordinate geometry to six Au+0.40- atoms.

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36 MATERIALS SCIENCEAu-Sicrystal structureSi3Au10

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2020-05-02. Materials Data on Si3Au10 by Materials Project. https://doi.org/10.17188/1718048

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