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DOE OSTI · 1281229

Materials Data on CuS4(N2Cl)2 by Materials Project

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Abstract

CuCl2(NS)4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and two CuCl2 ribbons oriented in the (1, 0, 0) direction. In each CuCl2 ribbon, Cu2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms.

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36 MATERIALS SCIENCECl-Cu-N-Scrystal structureCuS4(N2Cl)2

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2020-05-01. Materials Data on CuS4(N2Cl)2 by Materials Project. https://doi.org/10.17188/1281229

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DOE OSTI2026

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36 MATERIALS SCIENCE↗