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DOE OSTI · 1201617

Materials Data on Nb5Sb4 by Materials Project

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Abstract

Nb5Sb4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb+2.40+ sites. In the first Nb+2.40+ site, Nb+2.40+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Nb–Sb bond lengths are 3.11 Å. In the second Nb+2.40+ site, Nb+2.40+ is bonded to five equivalent Sb3- atoms to form a mixture of distorted edge and corner-sharing NbSb5 trigonal bipyramids. There are three shorter (2.82 Å) and two longer (2.86 Å) Nb–Sb bond lengths. Sb3- is bonded in a 6-coordinate geometry to six Nb+2.40+ atoms.

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36 MATERIALS SCIENCEcrystal structureNb-SbNb5Sb4

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2020-07-16. Materials Data on Nb5Sb4 by Materials Project. https://doi.org/10.17188/1201617

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DOE OSTI2026

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