LiCo2(PO4)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with three equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Co(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Co(2) and one P(1) atom.
LiCo2(PO4)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The Li(1)-O(2) bond length is 2.02 Å. The Li(1)-O(4) bond length is 2.01 Å. The Li(1)-O(6) bond length is 2.06 Å. The Li(1)-O(7) bond length is 1.98 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. The Co(1)-O(2) bond length is 2.00 Å. The Co(1)-O(5) bond length is 1.93 Å. The Co(1)-O(6) bond length is 1.98 Å. The Co(1)-O(7) bond length is 2.00 Å. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The Co(2)-O(1) bond length is 1.83 Å. The Co(2)-O(3) bond length is 1.83 Å. The Co(2)-O(4) bond length is 2.00 Å. The Co(2)-O(8) bond length is 1.93 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with three equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Co(2)O4 tetrahedra. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.58 Å. The P(1)-O(7) bond length is 1.55 Å. The P(1)-O(8) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The P(2)-O(1) bond length is 1.58 Å. The P(2)-O(3) bond length is 1.57 Å. The P(2)-O(5) bond length is 1.52 Å. The P(2)-O(6) bond length is 1.54 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Co(2) and one P(1) atom.