LiCoP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(5), one O(7), and two equivalent O(4) atoms. Co(1) 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 CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-52°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-58°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Co(1), and one P(2) atom to form distorted corner-sharing OLi2CoP trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to 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(1) atom.
LiCoP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(5), one O(7), and two equivalent O(4) atoms. The Li(1)-O(1) bond length is 2.14 Å. The Li(1)-O(5) bond length is 2.11 Å. The Li(1)-O(7) bond length is 2.30 Å. There is one shorter (2.22 Å) and one longer (2.34 Å) Li(1)-O(4) bond length. Co(1) 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 CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. The Co(1)-O(1) bond length is 1.92 Å. The Co(1)-O(3) bond length is 1.89 Å. The Co(1)-O(4) bond length is 1.98 Å. The Co(1)-O(5) bond length is 1.93 Å. The Co(1)-O(6) bond length is 1.88 Å. The Co(1)-O(7) bond length is 1.99 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-52°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.62 Å. The P(1)-O(3) bond length is 1.51 Å. The P(1)-O(7) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-58°. The P(2)-O(2) bond length is 1.63 Å. The P(2)-O(4) bond length is 1.56 Å. The P(2)-O(5) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.49 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Co(1), and one P(2) atom to form distorted corner-sharing OLi2CoP trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to 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(1) atom.