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DOE OSTI · 1356055

Materials Data on MoW2(SeS2)2 by Materials Project

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Abstract

MoSe2(WS2)2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one MoSe2 sheet oriented in the (0, 0, 1) direction and two WS2 sheets oriented in the (0, 0, 1) direction. In the MoSe2 sheet, Mo6+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.53 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In each WS2 sheet, W3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.43 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-S-Se-WMoW2(SeS2)2

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2020-07-22. Materials Data on MoW2(SeS2)2 by Materials Project. https://doi.org/10.17188/1356055

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