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DOE OSTI · 1405672

Materials Data on TeW2S3 by Materials Project

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Abstract

WTe2(WS2)3 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three WS2 sheets oriented in the (0, 0, 1) direction and one WTe2 sheet oriented in the (0, 0, 1) direction. In each WS2 sheet, W4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the WTe2 sheet, W4+ is bonded in a 6-coordinate geometry to six Te2- atoms. All W–Te bond lengths are 2.71 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent W4+ atoms.

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36 MATERIALS SCIENCEcrystal structureS-Te-WTeW2S3

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2020-07-18. Materials Data on TeW2S3 by Materials Project. https://doi.org/10.17188/1405672

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