Li2CoP2O7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(12), one O(3), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(4), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with three equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-70°. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(14), one O(5), and one O(7) atom. In the fourth Li site, Li(4) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-71°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(13), one O(3), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(14), one O(4), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-69°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-66°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(2), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with three equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 32-68°. In the fourth P site, P(4) is bonded to one O(13), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 14-67°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(4), one P(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one P(3), and one P(4) 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 P(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(4), one Co(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Co(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(4), one Co(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Li(2), one Co(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Co(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Co(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(3), one Co(2), and one P(3) atom.
Li2CoP2O7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(12), one O(3), and one O(9) atom. The Li(1)-O(12) bond length is 1.99 Å. The Li(1)-O(3) bond length is 1.93 Å. The Li(1)-O(9) bond length is 2.06 Å. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(4), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with three equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-70°. The Li(2)-O(10) bond length is 2.11 Å. The Li(2)-O(2) bond length is 2.40 Å. The Li(2)-O(4) bond length is 2.05 Å. The Li(2)-O(9) bond length is 2.09 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(14), one O(5), and one O(7) atom. The Li(3)-O(14) bond length is 2.00 Å. The Li(3)-O(5) bond length is 1.94 Å. The Li(3)-O(7) bond length is 2.06 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-71°. The Li(4)-O(1) bond length is 2.38 Å. The Li(4)-O(6) bond length is 2.06 Å. The Li(4)-O(7) bond length is 2.12 Å. The Li(4)-O(8) bond length is 2.12 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(13), one O(3), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(4)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The Co(1)-O(12) bond length is 2.02 Å. The Co(1)-O(13) bond length is 2.01 Å. The Co(1)-O(3) bond length is 2.19 Å. The Co(1)-O(6) bond length is 2.14 Å. The Co(1)-O(8) bond length is 2.21 Å. The Co(1)-O(9) bond length is 2.33 Å. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(14), one O(4), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The Co(2)-O(10) bond length is 2.19 Å. The Co(2)-O(11) bond length is 2.01 Å. The Co(2)-O(14) bond length is 2.02 Å. The Co(2)-O(4) bond length is 2.15 Å. The Co(2)-O(5) bond length is 2.19 Å. The Co(2)-O(7) bond length is 2.31 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-69°. The P(1)-O(1) bond length is 1.65 Å. The P(1)-O(12) bond length is 1.52 Å. The P(1)-O(6) bond length is 1.53 Å. The P(1)-O(8) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(1), one O(11), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-66°. The P(2)-O(1) bond length is 1.67 Å. The P(2)-O(11) bond length is 1.51 Å. The P(2)-O(5) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(10), one O(14), one O(2), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with three equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 32-68°. The P(3)-O(10) bond length is 1.54 Å. The P(3)-O(14) bond length is 1.52 Å. The P(3)-O(2) bond length is 1.65 Å. The P(3)-O(4) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(13), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 14-67°. The P(4)-O(13) bond length is 1.50 Å. The P(4)-O(2) bond length is 1.67 Å. The P(4)-O(3) bond length is 1.53 Å. The P(4)-O(9) bond length is 1.55 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(4), one P(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one P(3), and one P(4) 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 P(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Co(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(4), one Co(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Co(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(4), one Co(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Li(2), one Co(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Co(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Co(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(3), one Co(2), and one P(3) atom.