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DOE OSTI · 1205718

Materials Data on NbCuTe2 by Materials Project

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Abstract

CuNbTe2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nb3+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 pentagonal pyramids. There are a spread of Nb–Te bond distances ranging from 2.79–3.04 Å. Cu1+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.60–2.69 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent Nb3+ and one Cu1+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Nb3+ and three equivalent Cu1+ atoms.

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36 MATERIALS SCIENCEcrystal structureCu-Nb-TeNbCuTe2

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2020-07-15. Materials Data on NbCuTe2 by Materials Project. https://doi.org/10.17188/1205718

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