LiCu2P crystallizes in the trigonal P-3m1 space group. Li(1) is bonded in a 8-coordinate geometry to one Cu(1), three equivalent Cu(2), and four equivalent P(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one Li(1) and four equivalent P(1) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent P(1) atoms. P(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), three equivalent Cu(2), and four equivalent Cu(1) atoms.
LiCu2P crystallizes in the trigonal P-3m1 space group. Li(1) is bonded in a 8-coordinate geometry to one Cu(1), three equivalent Cu(2), and four equivalent P(1) atoms. The Li(1)-Cu(1) bond length is 2.57 Å. All Li(1)-Cu(2) bond lengths are 2.69 Å. There is one shorter (2.57 Å) and three longer (2.61 Å) Li(1)-P(1) bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one Li(1) and four equivalent P(1) atoms. There is one shorter (2.35 Å) and three longer (2.70 Å) Cu(1)-P(1) bond lengths. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent P(1) atoms. All Cu(2)-P(1) bond lengths are 2.33 Å. P(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), three equivalent Cu(2), and four equivalent Cu(1) atoms.