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DOE OSTI · 1274145

Materials Data on GaSe2NCl6 by Materials Project

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Abstract

(GaCl4)2N2(SeCl)4 is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules, eight chloroselenurane molecules, and four GaCl4 clusters. In each GaCl4 cluster, Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.19–2.24 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom.

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36 MATERIALS SCIENCECl-Ga-N-Secrystal structureGaSe2NCl6

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2020-05-02. Materials Data on GaSe2NCl6 by Materials Project. https://doi.org/10.17188/1274145

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36 MATERIALS SCIENCE↗