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DOE OSTI · 1706777

Materials Data on TeBr4 by Materials Project

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Abstract

TeBr4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four TeBr4 clusters. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six Br1- atoms to form edge-sharing TeBr6 octahedra. There are a spread of Te–Br bond distances ranging from 2.54–3.11 Å. In the second Te4+ site, Te4+ is bonded to six Br1- atoms to form edge-sharing TeBr6 octahedra. There are a spread of Te–Br bond distances ranging from 2.55–3.09 Å. There are eight inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the seventh Br1- site, Br1- is bonded in a single-bond geometry to one Te4+ atom. In the eighth Br1- site, Br1- is bonded in a 3-coordinate geometry to three Te4+ atoms.

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36 MATERIALS SCIENCEBr-Tecrystal structureTeBr4

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2020-04-30. Materials Data on TeBr4 by Materials Project. https://doi.org/10.17188/1706777

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