Materials Data on Cu3P by Materials Project

Abstract

Cu3P crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 2-coordinate geometry to two equivalent P3- atoms. There are one shorter (2.35 Å) and one longer (2.36 Å) Cu–P bond lengths. In the second Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.37 Å. In the third Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.37 Å. In the fourth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. There are one shorter (2.38 Å) and two longer (2.46 Å) Cu–P bond lengths. P3- is bonded in a 10-coordinate geometry to eight Cu1+ atoms.