Materials Data on LiCu2P by Materials Project

Abstract

LiCu2P is Sodium arsenide-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are one shorter (2.57 Å) and three longer (2.61 Å) Li–P bond lengths. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted single-bond geometry to four equivalent P3- atoms. There are one shorter (2.35 Å) and three longer (2.70 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 2.33 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Li1+ and seven Cu1+ atoms.