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DOE OSTI · 1688012

Materials Data on Nb6BiTe8 by Materials Project

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Abstract

Nb6BiTe8 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Nb+2.17+ is bonded to six Te2- atoms to form a mixture of distorted edge, face, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Nb–Te bond distances ranging from 2.80–2.99 Å. Bi3+ is bonded in a distorted hexagonal planar geometry to six equivalent Te2- atoms. All Bi–Te bond lengths are 3.44 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Nb+2.17+ atoms to form distorted face-sharing TeNb6 pentagonal pyramids. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Nb+2.17+ and one Bi3+ atom.

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36 MATERIALS SCIENCEBi-Nb-Tecrystal structureNb6BiTe8

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2020-04-29. Materials Data on Nb6BiTe8 by Materials Project. https://doi.org/10.17188/1688012

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36 MATERIALS SCIENCE↗