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DOE OSTI · 1356396

Materials Data on Mo2W(SeS2)2 by Materials Project

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Abstract

WSe2(MoS2)2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two MoS2 sheets oriented in the (0, 0, 1) direction and one WSe2 sheet oriented in the (0, 0, 1) direction. In each MoS2 sheet, Mo+4.50+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.43 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the WSe2 sheet, W3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.54 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-S-Se-WMo2W(SeS2)2

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2020-07-22. Materials Data on Mo2W(SeS2)2 by Materials Project. https://doi.org/10.17188/1356396

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