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DOE OSTI · 1276277

Materials Data on NbCoTe2 by Materials Project

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Abstract

NbCoTe2 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one NbCoTe2 sheet oriented in the (0, 0, 1) direction. Nb2+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Nb–Te bond distances ranging from 2.82–3.03 Å. Co2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are a spread of Co–Te bond distances ranging from 2.54–2.61 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Nb2+ and two equivalent Co2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Nb2+ and two equivalent Co2+ atoms.

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36 MATERIALS SCIENCECo-Nb-Tecrystal structureNbCoTe2

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2020-07-15. Materials Data on NbCoTe2 by Materials Project. https://doi.org/10.17188/1276277

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