LiCo2(PO4)2 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(16), one O(2), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(12), one O(15), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(13), and one O(14) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(15), one O(16), one O(2), and one O(4) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Co(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(11), one O(14), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(15), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Co(4), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(4) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(2), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Co(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Li(2), one Co(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Co(3) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(1), one Co(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(2), one Co(4), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(1), one Co(4), and one P(4) atom.
LiCo2(PO4)2 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(16), one O(2), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Li(1)-O(14) bond length is 2.10 Å. The Li(1)-O(16) bond length is 1.98 Å. The Li(1)-O(2) bond length is 2.01 Å. The Li(1)-O(3) bond length is 2.03 Å. In the second Li site, Li(2) is bonded to one O(12), one O(15), one O(5), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. The Li(2)-O(12) bond length is 2.05 Å. The Li(2)-O(15) bond length is 2.03 Å. The Li(2)-O(5) bond length is 2.01 Å. The Li(2)-O(9) bond length is 1.98 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The Co(1)-O(3) bond length is 2.00 Å. The Co(1)-O(5) bond length is 1.96 Å. The Co(1)-O(6) bond length is 1.95 Å. The Co(1)-O(9) bond length is 2.02 Å. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Co(2)-O(10) bond length is 1.85 Å. The Co(2)-O(12) bond length is 1.93 Å. The Co(2)-O(7) bond length is 1.81 Å. The Co(2)-O(8) bond length is 1.86 Å. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(13), and one O(14) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Co(3)-O(1) bond length is 1.83 Å. The Co(3)-O(11) bond length is 1.87 Å. The Co(3)-O(13) bond length is 1.84 Å. The Co(3)-O(14) bond length is 1.94 Å. In the fourth Co site, Co(4) is bonded to one O(15), one O(16), one O(2), and one O(4) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Co(4)-O(15) bond length is 2.03 Å. The Co(4)-O(16) bond length is 2.01 Å. The Co(4)-O(2) bond length is 1.97 Å. The Co(4)-O(4) bond length is 1.93 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Co(1)O4 tetrahedra. The P(1)-O(1) bond length is 1.58 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(4), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. The P(2)-O(4) bond length is 1.52 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(7) bond length is 1.57 Å. The P(2)-O(8) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(10), one O(11), one O(14), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. The P(3)-O(10) bond length is 1.54 Å. The P(3)-O(11) bond length is 1.55 Å. The P(3)-O(14) bond length is 1.57 Å. The P(3)-O(9) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(15), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The P(4)-O(12) bond length is 1.57 Å. The P(4)-O(13) bond length is 1.55 Å. The P(4)-O(15) bond length is 1.54 Å. The P(4)-O(16) bond length is 1.55 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Co(4), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(4) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(2), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Co(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Li(2), one Co(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Co(3) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(1), one Co(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(2), one Co(4), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(1), one Co(4), and one P(4) atom.