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DOE OSTI · 1746538

Materials Data on CoN3Cl5 by Materials Project

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Abstract

CoCl4N2NCl is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four chloramine molecules, and four CoCl4 clusters. In each CoCl4 cluster, Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. All Co–Cl bond lengths are 2.14 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom.

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36 MATERIALS SCIENCECl-Co-NCoN3Cl5crystal structure

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2020-05-03. Materials Data on CoN3Cl5 by Materials Project. https://doi.org/10.17188/1746538

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DOE OSTI2026

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