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DOE OSTI · 1269768

Materials Data on AlS2(NCl2)2 by Materials Project

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Abstract

AlCl4(NS)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four AlCl4 clusters. In each AlCl4 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Al–Cl bond distances ranging from 2.14–2.19 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.

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36 MATERIALS SCIENCEAl-Cl-N-SAlS2(NCl2)2crystal structure

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2020-07-15. Materials Data on AlS2(NCl2)2 by Materials Project. https://doi.org/10.17188/1269768

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