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DOE OSTI · 1651919

Materials Data on Te2MoWSe2 by Materials Project

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Abstract

WTeSeMoTeSe is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoTeSe sheet oriented in the (0, 0, 1) direction and one WTeSe sheet oriented in the (0, 0, 1) direction. In the MoTeSe sheet, Mo6+ is bonded in a 6-coordinate geometry to three equivalent Te2- and three equivalent Se2- atoms. All Mo–Te bond lengths are 2.73 Å. All Mo–Se bond lengths are 2.56 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo6+ atoms. In the WTeSe sheet, W2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form distorted edge-sharing WTe3Se3 pentagonal pyramids. All W–Te bond lengths are 2.73 Å. All W–Se bond lengths are 2.57 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms. Se2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-Se-Te-WTe2MoWSe2

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2020-07-23. Materials Data on Te2MoWSe2 by Materials Project. https://doi.org/10.17188/1651919

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