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DOE OSTI · 1356053

Materials Data on Te2Mo3Se4 by Materials Project

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Abstract

MoTe2(MoSe2)2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of two MoSe2 sheets oriented in the (0, 0, 1) direction and one MoTe2 sheet oriented in the (0, 0, 1) direction. In each 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 MoTe2 sheet, Mo4+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.71 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-Se-TeTe2Mo3Se4

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2020-07-22. Materials Data on Te2Mo3Se4 by Materials Project. https://doi.org/10.17188/1356053

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