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DOE OSTI · 1283832

Materials Data on Al(SeCl)4 by Materials Project

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Abstract

AlCl4(Se)4 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of thirty-two selenium molecules and eight 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 2.13–2.17 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(SeCl)4Al-Cl-Secrystal structure

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2020-05-29. Materials Data on Al(SeCl)4 by Materials Project. https://doi.org/10.17188/1283832

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DOE OSTI2026

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