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DOE OSTI · 1701559

Materials Data on Nb3ZnAu by Materials Project

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Abstract

Nb3AuZn crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to six equivalent Nb, three equivalent Au, and three equivalent Zn atoms. There are four shorter (2.94 Å) and two longer (2.98 Å) Nb–Nb bond lengths. There are a spread of Nb–Au bond distances ranging from 2.89–2.96 Å. There are a spread of Nb–Zn bond distances ranging from 2.81–3.01 Å. Au is bonded to nine equivalent Nb and three equivalent Zn atoms to form a mixture of distorted corner and face-sharing AuNb9Zn3 cuboctahedra. All Au–Zn bond lengths are 2.63 Å. Zn is bonded in a 3-coordinate geometry to nine equivalent Nb and three equivalent Au atoms.

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36 MATERIALS SCIENCEAu-Nb-Zncrystal structureNb3ZnAu

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2020-04-29. Materials Data on Nb3ZnAu by Materials Project. https://doi.org/10.17188/1701559

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