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DOE OSTI · 1201925

Materials Data on GaSbCl6 by Materials Project

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Abstract

GaSbCl6 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four GaSbCl6 ribbons oriented in the (0, 1, 0) direction. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.16–2.27 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.35–2.79 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Ga3+ and one Sb3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Ga3+ and one Sb3+ atom.

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36 MATERIALS SCIENCECl-Ga-Sbcrystal structureGaSbCl6

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2020-04-29. Materials Data on GaSbCl6 by Materials Project. https://doi.org/10.17188/1201925

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36 MATERIALS SCIENCE↗