LiCoPO4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(6), and one O(8) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(2), and one P(1) atom to form distorted corner-sharing OLi2CoP trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Co(1), and one P(2) atom to form distorted corner-sharing OLi2CoP trigonal pyramids.
LiCoPO4 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(7), and one O(8) atom. The Li(1)-O(1) bond length is 2.04 Å. The Li(1)-O(3) bond length is 2.08 Å. The Li(1)-O(7) bond length is 2.01 Å. The Li(1)-O(8) bond length is 2.01 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(6), and one O(8) atom. The Li(2)-O(2) bond length is 2.00 Å. The Li(2)-O(3) bond length is 2.00 Å. The Li(2)-O(6) bond length is 2.03 Å. The Li(2)-O(8) bond length is 2.06 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Co(1)-O(4) bond length is 2.01 Å. The Co(1)-O(5) bond length is 2.04 Å. The Co(1)-O(6) bond length is 1.99 Å. The Co(1)-O(7) bond length is 2.01 Å. The Co(1)-O(8) bond length is 2.38 Å. In the second Co site, Co(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Co(2)-O(1) bond length is 1.99 Å. The Co(2)-O(2) bond length is 2.02 Å. The Co(2)-O(3) bond length is 2.33 Å. The Co(2)-O(4) bond length is 2.05 Å. The Co(2)-O(5) bond length is 2.00 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.59 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. The P(2)-O(5) bond length is 1.59 Å. The P(2)-O(6) bond length is 1.55 Å. The P(2)-O(7) bond length is 1.55 Å. The P(2)-O(8) bond length is 1.55 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(2), and one P(1) atom to form distorted corner-sharing OLi2CoP trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Co(1), and one P(2) atom to form distorted corner-sharing OLi2CoP trigonal pyramids.