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DOE OSTI · 1689071

Materials Data on SNO3F by Materials Project

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Abstract

N2(SO3F)2 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonia molecules and four SO3F clusters. In each SO3F cluster, S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. The S–F bond length is 1.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. F1- is bonded in a single-bond geometry to one S6+ atom.

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36 MATERIALS SCIENCEcrystal structureF-N-O-SSNO3F

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2019-01-12. Materials Data on SNO3F by Materials Project. https://doi.org/10.17188/1689071

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