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DOE OSTI · 1405994

Materials Data on Te2MoWS2 by Materials Project

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Abstract

MoTe2WS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two MoTe2 sheets oriented in the (0, 0, 1) direction and two WS2 sheets oriented in the (0, 0, 1) direction. In each MoTe2 sheet, Mo6+ is bonded to six Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–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 Mo6+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent Mo6+ atoms. In each WS2 sheet, W2+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.46 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-S-Te-WTe2MoWS2

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2020-05-02. Materials Data on Te2MoWS2 by Materials Project. https://doi.org/10.17188/1405994

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