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DOE OSTI · 1405988

Materials Data on Te6Mo3WS2 by Materials Project

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Abstract

(MoTe2)3WS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three MoTe2 sheets oriented in the (0, 0, 1) direction and one WS2 sheet oriented in the (0, 0, 1) direction. In each MoTe2 sheet, Mo+4.67+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.72 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.67+ atoms. In the WS2 sheet, W2+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.49 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent W2+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-S-Te-WTe6Mo3WS2

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2020-04-29. Materials Data on Te6Mo3WS2 by Materials Project. https://doi.org/10.17188/1405988

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