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DOE OSTI · 1192436

Materials Data on Na3SiTe3 by Materials Project

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Abstract

(Na)3SiTe3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve sodium molecules and two SiTe3 clusters. In each SiTe3 cluster, Si4- is bonded in a tetrahedral geometry to one Si4- and three Te+0.33+ atoms. The Si–Si bond length is 2.38 Å. There are one shorter (2.53 Å) and two longer (2.54 Å) Si–Te bond lengths. There are three inequivalent Te+0.33+ sites. In the first Te+0.33+ site, Te+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the second Te+0.33+ site, Te+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the third Te+0.33+ site, Te+0.33+ is bonded in a single-bond geometry to one Si4- atom.

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36 MATERIALS SCIENCEcrystal structureNa-Si-TeNa3SiTe3

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2020-07-18. Materials Data on Na3SiTe3 by Materials Project. https://doi.org/10.17188/1192436

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