Li2CuP crystallizes in the trigonal P-3m1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to one Li(2), three equivalent Li(1), three equivalent Cu(1), and four equivalent P(1) atoms. In the second Li site, Li(2) is bonded in a 11-coordinate geometry to one Li(1), three equivalent Li(2), three equivalent Cu(1), and four equivalent P(1) atoms. Cu(1) is bonded in a distorted q6 geometry to three equivalent Li(1), three equivalent Li(2), and three equivalent P(1) atoms. P(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), four equivalent Li(2), and three equivalent Cu(1) atoms.
Li2CuP crystallizes in the trigonal P-3m1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to one Li(2), three equivalent Li(1), three equivalent Cu(1), and four equivalent P(1) atoms. The Li(1)-Li(2) bond length is 2.33 Å. All Li(1)-Li(1) bond lengths are 2.71 Å. All Li(1)-Cu(1) bond lengths are 2.61 Å. There is one shorter (2.53 Å) and three longer (2.58 Å) Li(1)-P(1) bond lengths. In the second Li site, Li(2) is bonded in a 11-coordinate geometry to one Li(1), three equivalent Li(2), three equivalent Cu(1), and four equivalent P(1) atoms. All Li(2)-Li(2) bond lengths are 2.68 Å. All Li(2)-Cu(1) bond lengths are 2.58 Å. There is one shorter (2.53 Å) and three longer (2.61 Å) Li(2)-P(1) bond lengths. Cu(1) is bonded in a distorted q6 geometry to three equivalent Li(1), three equivalent Li(2), and three equivalent P(1) atoms. All Cu(1)-P(1) bond lengths are 2.32 Å. P(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), four equivalent Li(2), and three equivalent Cu(1) atoms.