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DOE OSTI · 1733208

Materials Data on TaReSe4 by Materials Project

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Abstract

TaReSe4 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one ReSe2 sheet oriented in the (0, 0, 1) direction and one TaSe2 sheet oriented in the (0, 0, 1) direction. In the ReSe2 sheet, Re3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing ReSe6 pentagonal pyramids. All Re–Se bond lengths are 2.54 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Re3+ atoms. In the TaSe2 sheet, Ta5+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.61 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms.

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36 MATERIALS SCIENCEcrystal structureRe-Se-TaTaReSe4

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2020-05-03. Materials Data on TaReSe4 by Materials Project. https://doi.org/10.17188/1733208

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