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DOE OSTI · 1202488

Materials Data on AuSeCl7 by Materials Project

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Abstract

AuSeCl7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two AuSeCl7 clusters. Au3+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.30–2.35 Å. Se4+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 2.20–2.96 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Au3+ and one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one Au3+ and one Se4+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au3+ and one Se4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom.

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36 MATERIALS SCIENCEAu-Cl-SeAuSeCl7crystal structure

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2020-07-15. Materials Data on AuSeCl7 by Materials Project. https://doi.org/10.17188/1202488

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36 MATERIALS SCIENCE↗