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DOE OSTI · 1202483

Materials Data on TlAuCl4 by Materials Project

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Abstract

AuTlCl4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.32 Å) and two longer (2.33 Å) Au–Cl bond lengths. Tl1+ is bonded in a distorted q6 geometry to ten Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.44–3.65 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au3+ and two equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Au3+ and three equivalent Tl1+ atoms.

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36 MATERIALS SCIENCEAu-Cl-Tlcrystal structureTlAuCl4

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2020-07-15. Materials Data on TlAuCl4 by Materials Project. https://doi.org/10.17188/1202483

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