LiCoCPO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O5 square pyramid, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Li(1)O5 square pyramid. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(7) atom. P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and corners with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 37-49°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(1) 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 bent 120 degrees geometry to one Li(1) and one C(1) atom.
LiCoCPO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. The Li(1)-O(1) bond length is 2.18 Å. The Li(1)-O(2) bond length is 2.14 Å. The Li(1)-O(3) bond length is 2.10 Å. The Li(1)-O(5) bond length is 2.19 Å. The Li(1)-O(7) bond length is 1.95 Å. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O5 square pyramid, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Li(1)O5 square pyramid. The Co(1)-O(1) bond length is 1.89 Å. The Co(1)-O(2) bond length is 1.93 Å. The Co(1)-O(3) bond length is 1.90 Å. The Co(1)-O(4) bond length is 1.83 Å. The Co(1)-O(5) bond length is 1.94 Å. The Co(1)-O(6) bond length is 1.93 Å. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(7) atom. The C(1)-O(2) bond length is 1.32 Å. The C(1)-O(3) bond length is 1.33 Å. The C(1)-O(7) bond length is 1.23 Å. P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Co(1)O6 octahedra and corners with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 37-49°. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.55 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one P(1) 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 bent 120 degrees geometry to one Li(1) and one C(1) atom.