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DOE OSTI · 1264963

Materials Data on TeAuBr8 by Materials Project

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Abstract

AuTeBr7Br crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one bromine molecule and one AuTeBr7 cluster. In the AuTeBr7 cluster, Au2+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Au–Br bond distances ranging from 2.46–2.50 Å. Te6+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.53–3.15 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Au2+ and one Te6+ atom. In the second Br1- site, Br1- is bonded in a distorted water-like geometry to one Au2+ and one Te6+ atom. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to one Au2+ and one Te6+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Au2+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Te6+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Te6+ atom. In the seventh Br1- site, Br1- is bonded in a single-bond geometry to one Te6+ atom.

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36 MATERIALS SCIENCEAu-Br-Tecrystal structureTeAuBr8

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2020-07-23. Materials Data on TeAuBr8 by Materials Project. https://doi.org/10.17188/1264963

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