LiCo2H3(P2O7)2 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(14), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(14), one O(2), one O(3), and one O(5) 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 P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(6) 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 P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(4), and one O(7) 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, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), 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,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the third P site, P(3) is bonded to one O(10), one O(5), one O(6), 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, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(13), and one O(14) 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, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-51°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(6) and one O(9) atom. In the second H site, H(2) is bonded in a linear geometry to one O(7) and one O(8) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(12) and one O(13) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(2), one P(3), and one H(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one P(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one P(3), and one H(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(2) and one H(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(2), one P(1), and one H(3) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(4) and one H(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(4) atom.
LiCo2H3(P2O7)2 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(14), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The Li(1)-O(14) bond length is 1.98 Å. The Li(1)-O(2) bond length is 1.98 Å. The Li(1)-O(7) bond length is 1.97 Å. The Li(1)-O(8) bond length is 2.06 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(14), one O(2), one O(3), and one O(5) 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 P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The Co(1)-O(1) bond length is 2.12 Å. The Co(1)-O(11) bond length is 2.17 Å. The Co(1)-O(14) bond length is 2.09 Å. The Co(1)-O(2) bond length is 2.11 Å. The Co(1)-O(3) bond length is 2.16 Å. The Co(1)-O(5) bond length is 2.15 Å. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(6) 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 P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. The Co(2)-O(1) bond length is 2.09 Å. The Co(2)-O(11) bond length is 2.09 Å. The Co(2)-O(12) bond length is 2.10 Å. The Co(2)-O(3) bond length is 2.07 Å. The Co(2)-O(5) bond length is 2.11 Å. The Co(2)-O(6) bond length is 2.19 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(4), and one O(7) 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, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(12) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.62 Å. The P(1)-O(7) bond length is 1.52 Å. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), 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,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. The P(2)-O(2) bond length is 1.51 Å. The P(2)-O(3) bond length is 1.53 Å. The P(2)-O(4) bond length is 1.59 Å. The P(2)-O(9) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(10), one O(5), one O(6), 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, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. The P(3)-O(10) bond length is 1.60 Å. The P(3)-O(5) bond length is 1.53 Å. The P(3)-O(6) bond length is 1.51 Å. The P(3)-O(8) bond length is 1.57 Å. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(13), and one O(14) 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, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-51°. The P(4)-O(10) bond length is 1.61 Å. The P(4)-O(11) bond length is 1.53 Å. The P(4)-O(13) bond length is 1.56 Å. The P(4)-O(14) bond length is 1.51 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(6) and one O(9) atom. The H(1)-O(6) bond length is 1.70 Å. The H(1)-O(9) bond length is 1.01 Å. In the second H site, H(2) is bonded in a linear geometry to one O(7) and one O(8) atom. The H(2)-O(7) bond length is 1.52 Å. The H(2)-O(8) bond length is 1.05 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(12) and one O(13) atom. The H(3)-O(12) bond length is 1.66 Å. The H(3)-O(13) bond length is 1.02 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(2), one P(3), and one H(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one P(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one P(3), and one H(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(2) and one H(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(2), one P(1), and one H(3) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(4) and one H(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(4) atom.