LiCoPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-63°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-55°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Co(1), one Co(2), and one H(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Co(2), and one P(1) atom.
LiCoPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-63°. The Li(1)-O(1) bond length is 1.98 Å. The Li(1)-O(3) bond length is 2.10 Å. The Li(1)-O(4) bond length is 2.07 Å. There is one shorter (2.02 Å) and one longer (2.11 Å) Li(1)-O(5) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. Both Co(1)-O(1) bond lengths are 1.93 Å. Both Co(1)-O(2) bond lengths are 1.96 Å. Both Co(1)-O(3) bond lengths are 1.94 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. Both Co(2)-O(1) bond lengths are 1.93 Å. Both Co(2)-O(4) bond lengths are 1.92 Å. Both Co(2)-O(5) bond lengths are 1.94 Å. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-55°. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.56 Å. H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.99 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Co(1), one Co(2), and one H(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Co(2), and one P(1) atom.