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DOE OSTI · 1261738

Materials Data on Nb3As by Materials Project

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Abstract

Nb3As crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to four equivalent As atoms. There are a spread of Nb–As bond distances ranging from 2.51–2.95 Å. In the second Nb site, Nb is bonded in a 2-coordinate geometry to three equivalent As atoms. There are a spread of Nb–As bond distances ranging from 2.60–2.92 Å. In the third Nb site, Nb is bonded in a distorted bent 150 degrees geometry to two equivalent As atoms. There are one shorter (2.60 Å) and one longer (2.62 Å) Nb–As bond lengths. As is bonded in a 9-coordinate geometry to nine Nb atoms.

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36 MATERIALS SCIENCEAs-Nbcrystal structureNb3As

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2020-07-22. Materials Data on Nb3As by Materials Project. https://doi.org/10.17188/1261738

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