LiCoPO4 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(1), one O(3), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Co(2)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(1), one O(3), one O(5), and one O(8) atom to form distorted CoO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(1), and one P(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Co(2), 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(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one P(1) atom.
LiCoPO4 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(1), one O(3), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. The Li(1)-O(1) bond length is 1.98 Å. The Li(1)-O(3) bond length is 1.97 Å. The Li(1)-O(4) bond length is 2.07 Å. The Li(1)-O(8) bond length is 1.94 Å. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The Li(2)-O(2) bond length is 1.95 Å. The Li(2)-O(5) bond length is 1.91 Å. The Li(2)-O(6) bond length is 2.00 Å. The Li(2)-O(7) bond length is 1.94 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form distorted CoO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The Co(1)-O(1) bond length is 1.96 Å. The Co(1)-O(3) bond length is 1.97 Å. The Co(1)-O(5) bond length is 2.01 Å. The Co(1)-O(8) bond length is 2.07 Å. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(2)O4 tetrahedra. The Co(2)-O(2) bond length is 2.00 Å. The Co(2)-O(4) bond length is 2.00 Å. The Co(2)-O(6) bond length is 2.01 Å. The Co(2)-O(7) bond length is 1.98 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.57 Å. The P(1)-O(7) bond length is 1.55 Å. The P(1)-O(8) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 tetrahedra. The P(2)-O(1) bond length is 1.56 Å. The P(2)-O(3) bond length is 1.56 Å. The P(2)-O(4) bond length is 1.56 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 distorted trigonal non-coplanar geometry to one Li(1), one Co(1), and one P(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Co(2), 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(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one P(1) atom.