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DOE OSTI · 1356399

Materials Data on Te4W3Se2 by Materials Project

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Abstract

(WTe2)2WSe2 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 two WTe2 sheets oriented in the (0, 0, 1) direction. In the WSe2 sheet, W4+ is bonded to six Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.59 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the second Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent W4+ atoms. In each WTe2 sheet, W4+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. All W–Te bond lengths are 2.73 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. All Te–W bond lengths are 2.73 Å. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent W4+ atoms. All Te–W bond lengths are 2.73 Å.

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36 MATERIALS SCIENCEcrystal structureSe-Te-WTe4W3Se2

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2020-07-22. Materials Data on Te4W3Se2 by Materials Project. https://doi.org/10.17188/1356399

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