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DOE OSTI · 1356012

Materials Data on Te4Mo2WSe2 by Materials Project

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Abstract

(MoTe2)2WSe2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of two MoTe2 sheets oriented in the (0, 0, 1) direction and one WSe2 sheet oriented in the (0, 0, 1) direction. In each MoTe2 sheet, Mo+4.50+ is bonded to six Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.72 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the second Te2- site, Te2- is bonded in a 12-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 2.59 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-Se-Te-WTe4Mo2WSe2

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2020-07-22. Materials Data on Te4Mo2WSe2 by Materials Project. https://doi.org/10.17188/1356012

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