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DOE OSTI · 1718316

Materials Data on KH2OsNCl4 by Materials Project

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Abstract

KOsNH2Cl4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two KOsNH2Cl4 sheets oriented in the (0, 1, 0) direction. K1+ is bonded in a 8-coordinate geometry to two H1+ and six Cl1- atoms. There are one shorter (2.91 Å) and one longer (2.94 Å) K–H bond lengths. There are a spread of K–Cl bond distances ranging from 3.27–3.41 Å. Os4+ is bonded in a 5-coordinate geometry to one N3- and four Cl1- atoms. The Os–N bond length is 1.65 Å. All Os–Cl bond lengths are 2.34 Å. N3- is bonded in a single-bond geometry to one Os4+ atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Os4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one K1+ and one Os4+ atom.

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36 MATERIALS SCIENCECl-H-K-N-Oscrystal structureKH2OsNCl4

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2020-05-02. Materials Data on KH2OsNCl4 by Materials Project. https://doi.org/10.17188/1718316

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36 MATERIALS SCIENCE↗