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DOE OSTI · 1705669

Materials Data on TeMo2Se3 by Materials Project

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Abstract

MoSe2MoTeSe is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoSe2 sheet oriented in the (0, 0, 1) direction and one MoTeSe sheet oriented in the (0, 0, 1) direction. In the MoSe2 sheet, Mo4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.56 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In the MoTeSe sheet, Mo4+ is bonded in a 6-coordinate geometry to three equivalent Te2- and three equivalent Se2- atoms. All Mo–Te bond lengths are 2.72 Å. All Mo–Se bond lengths are 2.55 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-Se-TeTeMo2Se3

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2020-05-02. Materials Data on TeMo2Se3 by Materials Project. https://doi.org/10.17188/1705669

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