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DOE OSTI · 1276316

Materials Data on Te2Au by Materials Project

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Abstract

AuTe2 crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of one AuTe2 sheet oriented in the (-1, 0, 2) direction. there are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded to six Te+1.50- atoms to form edge-sharing AuTe6 octahedra. There are a spread of Au–Te bond distances ranging from 2.73–3.15 Å. In the second Au3+ site, Au3+ is bonded to six Te+1.50- atoms to form edge-sharing AuTe6 octahedra. There are a spread of Au–Te bond distances ranging from 2.73–3.21 Å. There are four inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to three Au3+ atoms. In the second Te+1.50- site, Te+1.50- is bonded in a 3-coordinate geometry to three Au3+ atoms. In the third Te+1.50- site, Te+1.50- is bonded in a 2-coordinate geometry to three Au3+ atoms. In the fourth Te+1.50- site, Te+1.50- is bonded in a 6-coordinate geometry to three Au3+ atoms.

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36 MATERIALS SCIENCEAu-Tecrystal structureTe2Au

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2020-07-18. Materials Data on Te2Au by Materials Project. https://doi.org/10.17188/1276316

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