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DOE OSTI · 1289210

Materials Data on Cu3P by Materials Project

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Abstract

Cu3P is Sodium arsenide structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are one shorter (2.32 Å) and three longer (2.58 Å) Cu–P bond lengths. In the second Cu1+ site, Cu1+ is bonded in a distorted single-bond geometry to four equivalent P3- atoms. There are one shorter (2.32 Å) and three longer (2.74 Å) Cu–P bond lengths. In the third Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.36 Å. P3- is bonded in a 11-coordinate geometry to eleven Cu1+ atoms.

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36 MATERIALS SCIENCEcrystal structureCu-PCu3P

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2020-07-16. Materials Data on Cu3P by Materials Project. https://doi.org/10.17188/1289210

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