LiCoP2O7 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(13), one O(3), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-75°. In the second Li site, Li(2) is bonded to one O(14), one O(2), one O(4), and one O(7) atom to form LiO4 trigonal pyramids that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-73°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(13), one O(14), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)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(10), one O(13), one O(14), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  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 30-53°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 23-53°. In the third P site, P(3) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-40°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 43-53°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Co(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one Co(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Co(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one P(1) atom.
LiCoP2O7 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(13), one O(3), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-75°. The Li(1)-O(12) bond length is 2.18 Å. The Li(1)-O(13) bond length is 2.12 Å. The Li(1)-O(3) bond length is 2.12 Å. The Li(1)-O(8) bond length is 2.31 Å. In the second Li site, Li(2) is bonded to one O(14), one O(2), one O(4), and one O(7) atom to form LiO4 trigonal pyramids that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-73°. The Li(2)-O(14) bond length is 1.96 Å. The Li(2)-O(2) bond length is 2.02 Å. The Li(2)-O(4) bond length is 1.96 Å. The Li(2)-O(7) bond length is 1.97 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(14), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Co(1)-O(12) bond length is 2.04 Å. The Co(1)-O(13) bond length is 2.24 Å. The Co(1)-O(14) bond length is 2.06 Å. The Co(1)-O(5) bond length is 1.93 Å. The Co(1)-O(6) bond length is 1.92 Å. The Co(1)-O(7) bond length is 2.01 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The Co(2)-O(1) bond length is 2.01 Å. The Co(2)-O(2) bond length is 2.01 Å. The Co(2)-O(3) bond length is 2.29 Å. The Co(2)-O(4) bond length is 2.05 Å. The Co(2)-O(8) bond length is 2.03 Å. The Co(2)-O(9) bond length is 1.90 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(13), one O(14), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  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 30-53°. The P(1)-O(10) bond length is 1.62 Å. The P(1)-O(13) bond length is 1.53 Å. The P(1)-O(14) bond length is 1.53 Å. The P(1)-O(2) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(1), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 23-53°. The P(2)-O(1) bond length is 1.53 Å. The P(2)-O(11) bond length is 1.61 Å. The P(2)-O(7) bond length is 1.52 Å. The P(2)-O(8) bond length is 1.54 Å. In the third P site, P(3) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-40°. The P(3)-O(10) bond length is 1.60 Å. The P(3)-O(5) bond length is 1.52 Å. The P(3)-O(6) bond length is 1.54 Å. The P(3)-O(9) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 43-53°. The P(4)-O(11) bond length is 1.63 Å. The P(4)-O(12) bond length is 1.54 Å. The P(4)-O(3) bond length is 1.53 Å. The P(4)-O(4) bond length is 1.54 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Co(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one Co(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Co(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1), one Co(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one P(1) atom.