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DOE OSTI · 1687766

Materials Data on TaWSe4 by Materials Project

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Abstract

TaSe2WSe2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one TaSe2 sheet oriented in the (0, 0, 1) direction and one WSe2 sheet oriented in the (0, 0, 1) direction. In the TaSe2 sheet, Ta5+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.60 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ 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 2.57 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.

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36 MATERIALS SCIENCEcrystal structureSe-Ta-WTaWSe4

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2020-05-02. Materials Data on TaWSe4 by Materials Project. https://doi.org/10.17188/1687766

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