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DOE OSTI · 1277925

Materials Data on Te3WICl6 by Materials Project

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Abstract

WTeICl6(Te)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight tellurium molecules and four WTeICl6 clusters. In each WTeICl6 cluster, W6+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of W–Cl bond distances ranging from 2.30–2.40 Å. Te+0.33+ is bonded in a linear geometry to one I1- and one Cl1- atom. The Te–I bond length is 2.71 Å. The Te–Cl bond length is 3.19 Å. I1- is bonded in a distorted single-bond geometry to one Te+0.33+ atom. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one W6+ and one Te+0.33+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom.

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36 MATERIALS SCIENCECl-I-Te-Wcrystal structureTe3WICl6

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2020-07-15. Materials Data on Te3WICl6 by Materials Project. https://doi.org/10.17188/1277925

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36 MATERIALS SCIENCE↗