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DOE OSTI · 1202456

Materials Data on TeAuCl7 by Materials Project

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Abstract

AuTeCl7 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one AuTeCl7 cluster. Au3+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. All Au–Cl bond lengths are 2.32 Å. Te4+ is bonded in a 3-coordinate geometry to five Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.35–3.00 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the third Cl1- site, Cl1- is bonded in a water-like geometry to one Au3+ and one Te4+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Au3+ and one Te4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom.

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36 MATERIALS SCIENCEAu-Cl-Tecrystal structureTeAuCl7

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2020-07-24. Materials Data on TeAuCl7 by Materials Project. https://doi.org/10.17188/1202456

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