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DOE OSTI · 1726908

Materials Data on TeMo2S3 by Materials Project

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Abstract

MoS2MoTeS is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction and one MoTeS sheet oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In the MoTeS sheet, Mo4+ is bonded in a 6-coordinate geometry to three equivalent Te2- and three equivalent S2- atoms. All Mo–Te bond lengths are 2.72 Å. All Mo–S bond lengths are 2.42 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms. S2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-S-TeTeMo2S3

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2019-01-12. Materials Data on TeMo2S3 by Materials Project. https://doi.org/10.17188/1726908

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