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DOE OSTI · 1405681

Materials Data on MoWSe4 by Materials Project

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Abstract

WSe2MoSe2 is Molybdenite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two MoSe2 sheets oriented in the (0, 0, 1) direction and two WSe2 sheets oriented in the (0, 0, 1) direction. In each MoSe2 sheet, Mo6+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.55 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In each WSe2 sheet, W2+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.55 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-Se-WMoWSe4

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2020-05-02. Materials Data on MoWSe4 by Materials Project. https://doi.org/10.17188/1405681

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