LiCo6P4 crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six equivalent Co(1) and six equivalent P(1) atoms to form distorted face-sharing LiCo6P6 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), two equivalent P(1), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one P(2) and four equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Co(1), and four equivalent Co(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Co(2) and six equivalent Co(1) atoms.
LiCo6P4 crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six equivalent Co(1) and six equivalent P(1) atoms to form distorted face-sharing LiCo6P6 cuboctahedra. All Li(1)-Co(1) bond lengths are 2.79 Å. All Li(1)-P(1) bond lengths are 2.63 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), two equivalent P(1), and two equivalent P(2) atoms. Both Co(1)-P(1) bond lengths are 2.15 Å. Both Co(1)-P(2) bond lengths are 2.23 Å. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one P(2) and four equivalent P(1) atoms. The Co(2)-P(2) bond length is 2.27 Å. All Co(2)-P(1) bond lengths are 2.30 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Co(1), and four equivalent Co(2) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Co(2) and six equivalent Co(1) atoms.