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DOE OSTI · 1722498

Materials Data on Si5(H2Cl)4 by Materials Project

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Abstract

Si5(H2Cl)4 is Protactinium structured and crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two Si5(H2Cl)4 clusters. there are two inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a tetrahedral geometry to four equivalent Si+0.80- atoms. All Si–Si bond lengths are 2.38 Å. In the second Si+0.80- site, Si+0.80- is bonded in a trigonal non-coplanar geometry to one Si+0.80-, two H1+, and one Cl1- atom. Both Si–H bond lengths are 1.49 Å. The Si–Cl bond length is 2.10 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Si+0.80- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Si+0.80- atom. Cl1- is bonded in a single-bond geometry to one Si+0.80- atom.

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36 MATERIALS SCIENCECl-H-Sicrystal structureSi5(H2Cl)4

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2020-05-02. Materials Data on Si5(H2Cl)4 by Materials Project. https://doi.org/10.17188/1722498

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