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DOE OSTI · 1202643

Materials Data on SiH3I by Materials Project

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Abstract

H3SiI is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four iodosilane molecules. Si4+ is bonded in a tetrahedral geometry to three H1- and one I1- atom. All Si–H bond lengths are 1.49 Å. The Si–I bond length is 2.48 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one Si4+ atom. In the second H1- site, H1- is bonded in a single-bond geometry to one Si4+ atom. In the third H1- site, H1- is bonded in a single-bond geometry to one Si4+ atom. I1- is bonded in a single-bond geometry to one Si4+ atom.

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36 MATERIALS SCIENCEcrystal structureH-I-SiSiH3I

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2020-05-02. Materials Data on SiH3I by Materials Project. https://doi.org/10.17188/1202643

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