LiCoPO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. Co(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CoO7 pentagonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, edges with three equivalent Co(1)O7 pentagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O7 pentagonal bipyramids and edges with two equivalent Co(1)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Co(1), and one P(1) atom.
LiCoPO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-O(2) bond length is 2.50 Å. The Li(1)-O(3) bond length is 1.91 Å. There is one shorter (1.94 Å) and one longer (2.06 Å) Li(1)-O(4) bond length. Co(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CoO7 pentagonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra, edges with three equivalent Co(1)O7 pentagonal bipyramids, and edges with two equivalent P(1)O4 tetrahedra. The Co(1)-O(4) bond length is 2.28 Å. There is one shorter (2.19 Å) and one longer (2.21 Å) Co(1)-O(1) bond length. There is one shorter (2.19 Å) and one longer (2.23 Å) Co(1)-O(2) bond length. There is one shorter (2.30 Å) and one longer (2.31 Å) Co(1)-O(3) bond length. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O7 pentagonal bipyramids and edges with two equivalent Co(1)O7 pentagonal bipyramids. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.55 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Co(1), and one P(1) atom.