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DOE OSTI · 1203144

Materials Data on Ga3Bi5Cl12 by Materials Project

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Abstract

(Bi)3Ga3(BiCl6)2 crystallizes in the trigonal R-3c space group. The structure is two-dimensional and consists of eighteen bismuth molecules and six Ga3(BiCl6)2 sheets oriented in the (0, 0, 1) direction. In each Ga3(BiCl6)2 sheet, Ga+2.33+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.20 Å) and two longer (2.22 Å) Ga–Cl bond lengths. Bi1+ is bonded in a 3-coordinate geometry to three equivalent Cl1- atoms. All Bi–Cl bond lengths are 3.40 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.33+ and one Bi1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.33+ atom.

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36 MATERIALS SCIENCEBi-Cl-Gacrystal structureGa3Bi5Cl12

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2020-04-29. Materials Data on Ga3Bi5Cl12 by Materials Project. https://doi.org/10.17188/1203144

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36 MATERIALS SCIENCE↗