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DOE OSTI · 1747653

Materials Data on TeW2Se3 by Materials Project

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Abstract

WSe2WTeSe is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one WSe2 sheet oriented in the (0, 0, 1) direction and one WTeSe sheet oriented in the (0, 0, 1) direction. In the WSe2 sheet, W4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.56 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the WTeSe sheet, W4+ 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 2.72 Å. All W–Se bond lengths are 2.55 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent W4+ atoms. Se2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms.

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36 MATERIALS SCIENCEcrystal structureSe-Te-WTeW2Se3

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2020-05-03. Materials Data on TeW2Se3 by Materials Project. https://doi.org/10.17188/1747653

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