Li3CoCPO7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Li(3)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 69-92°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Co(1)O5 trigonal bipyramid. Co(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share corners with two equivalent Li(3)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-89°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O5 trigonal bipyramids, and corners with three equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-66°. There are seven inequivalent O sites. In the first O site, O(6) is bonded to one Li(2), one Li(3), one Co(1), and one P(1) atom to form distorted OLi2CoP trigonal pyramids that share corners with two equivalent O(2)Li2CoC tetrahedra and corners with four equivalent O(7)Li2CoP tetrahedra. In the second O site, O(7) is bonded to one Li(2), one Li(3), one Co(1), and one P(1) atom to form OLi2CoP tetrahedra that share corners with four equivalent O(6)Li2CoP trigonal pyramids and  an edgeedge with one O(2)Li2CoC tetrahedra. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(3), and one C(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Co(1), and one C(1) atom to form a mixture of edge and corner-sharing OLi2CoC tetrahedra. In the fifth O site, O(3) is bonded in a 1-coordinate geometry to one Li(2), one Li(3), one Co(1), and one C(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(1), and one P(1) atom. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom.
Li3CoCPO7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. The Li(1)-O(1) bond length is 1.90 Å. The Li(1)-O(2) bond length is 1.99 Å. The Li(1)-O(4) bond length is 2.23 Å. The Li(1)-O(5) bond length is 2.25 Å. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Li(3)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 69-92°. The Li(2)-O(2) bond length is 2.18 Å. The Li(2)-O(3) bond length is 2.44 Å. The Li(2)-O(5) bond length is 2.02 Å. The Li(2)-O(6) bond length is 2.09 Å. The Li(2)-O(7) bond length is 2.14 Å. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Co(1)O5 trigonal bipyramid. The Li(3)-O(1) bond length is 2.43 Å. The Li(3)-O(3) bond length is 2.26 Å. The Li(3)-O(4) bond length is 2.03 Å. The Li(3)-O(5) bond length is 1.97 Å. The Li(3)-O(6) bond length is 2.16 Å. The Li(3)-O(7) bond length is 2.09 Å. Co(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share corners with two equivalent Li(3)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-89°. The Co(1)-O(2) bond length is 2.09 Å. The Co(1)-O(3) bond length is 2.21 Å. The Co(1)-O(4) bond length is 2.07 Å. The Co(1)-O(6) bond length is 2.03 Å. The Co(1)-O(7) bond length is 2.16 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.33 Å. The C(1)-O(3) bond length is 1.29 Å. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O5 trigonal bipyramids, and corners with three equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-66°. The P(1)-O(4) bond length is 1.57 Å. The P(1)-O(5) bond length is 1.53 Å. The P(1)-O(6) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.56 Å. There are seven inequivalent O sites. In the first O site, O(6) is bonded to one Li(2), one Li(3), one Co(1), and one P(1) atom to form distorted OLi2CoP trigonal pyramids that share corners with two equivalent O(2)Li2CoC tetrahedra and corners with four equivalent O(7)Li2CoP tetrahedra. In the second O site, O(7) is bonded to one Li(2), one Li(3), one Co(1), and one P(1) atom to form OLi2CoP tetrahedra that share corners with four equivalent O(6)Li2CoP trigonal pyramids and  an edgeedge with one O(2)Li2CoC tetrahedra. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(3), and one C(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Co(1), and one C(1) atom to form a mixture of edge and corner-sharing OLi2CoC tetrahedra. In the fifth O site, O(3) is bonded in a 1-coordinate geometry to one Li(2), one Li(3), one Co(1), and one C(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(1), and one P(1) atom. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom.