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DOE OSTI · 1405427

Materials Data on MoWS4 by Materials Project

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Abstract

WS2MoS2 is Molybdenite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two MoS2 sheets oriented in the (0, 0, 1) direction and two WS2 sheets oriented in the (0, 0, 1) direction. In each MoS2 sheet, Mo6+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.42 Å. S2- is bonded in a 3-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 2.42 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-S-WMoWS4

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2020-07-20. Materials Data on MoWS4 by Materials Project. https://doi.org/10.17188/1405427

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