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DOE OSTI · 1282041

Materials Data on Cu3As by Materials Project

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Abstract

Cu3As crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.42 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.49 Å. In the third Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three equivalent As3- atoms. There are a spread of Cu–As bond distances ranging from 2.47–2.64 Å. As3- is bonded in a 9-coordinate geometry to nine Cu1+ atoms.

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36 MATERIALS SCIENCEAs-Cucrystal structureCu3As

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2020-07-16. Materials Data on Cu3As by Materials Project. https://doi.org/10.17188/1282041

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