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DOE OSTI · 1683103

Materials Data on NbMoSe4 by Materials Project

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Abstract

NbSe2MoSe2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one MoSe2 sheet oriented in the (0, 0, 1) direction and one NbSe2 sheet oriented in the (0, 0, 1) direction. In the MoSe2 sheet, Mo3+ 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 Mo3+ atoms. In the NbSe2 sheet, Nb5+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.61 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Nb5+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-Nb-SeNbMoSe4

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2020-05-03. Materials Data on NbMoSe4 by Materials Project. https://doi.org/10.17188/1683103

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