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DOE OSTI · 1674198

Materials Data on Nb6SnTe8 by Materials Project

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Abstract

Nb6SnTe8 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Nb2+ is bonded to six Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 46–57°. There are a spread of Nb–Te bond distances ranging from 2.80–3.02 Å. Sn4+ is bonded in a distorted hexagonal planar geometry to six equivalent Te2- atoms. All Sn–Te bond lengths are 3.41 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Nb2+ atoms to form distorted face-sharing TeNb6 pentagonal pyramids. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to four equivalent Nb2+ and one Sn4+ atom.

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36 MATERIALS SCIENCEcrystal structureNb-Sn-TeNb6SnTe8

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2020-04-30. Materials Data on Nb6SnTe8 by Materials Project. https://doi.org/10.17188/1674198

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