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DOE OSTI · 1752113

Materials Data on CuNCl3 by Materials Project

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Abstract

(CuCl3)2N2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and two CuCl3 clusters. In each CuCl3 cluster, Cu2+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Cu–Cl bond distances ranging from 2.14–2.24 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms.

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36 MATERIALS SCIENCECl-Cu-Ncrystal structureCuNCl3

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2020-05-03. Materials Data on CuNCl3 by Materials Project. https://doi.org/10.17188/1752113

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