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DOE OSTI · 1699337

Materials Data on AlNCl4 by Materials Project

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Abstract

(AlCl4)2N2 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonia molecules and four AlCl4 clusters. In each AlCl4 cluster, Al3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.15 Å) and one longer (2.16 Å) Al–Cl bond lengths. There are three 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.

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36 MATERIALS SCIENCEAl-Cl-NAlNCl4crystal structure

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2020-05-02. Materials Data on AlNCl4 by Materials Project. https://doi.org/10.17188/1699337

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