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DOE OSTI · 1744967

Materials Data on GaHgCl4 by Materials Project

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Abstract

HgGaCl4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one HgGaCl4 sheet oriented in the (0, 0, 1) direction. Hg1+ is bonded in a 1-coordinate geometry to one Hg1+ and five Cl1- atoms. The Hg–Hg bond length is 2.62 Å. There are a spread of Hg–Cl bond distances ranging from 2.52–3.55 Å. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.17–2.32 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to one Hg1+ and one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to two equivalent Hg1+ and one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg1+ and one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg1+ and one Ga3+ atom.

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36 MATERIALS SCIENCECl-Ga-Hgcrystal structureGaHgCl4

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2020-05-09. Materials Data on GaHgCl4 by Materials Project. https://doi.org/10.17188/1744967

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