Li4Co2Ni3O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. Co(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CoO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Ni site, Ni(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Co(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2CoNi3 octahedra that share  a cornercorner with one O(1)Li2CoNi3 octahedra,  a cornercorner with one O(3)Li2CoNi3 octahedra,  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(2)Li3Co2 square pyramid, corners with two equivalent O(5)Li3CoNi square pyramids,  an edgeedge with one O(1)Li2CoNi3 octahedra, edges with four equivalent O(3)Li2CoNi3 octahedra, edges with two equivalent O(2)Li3Co2 square pyramids, edges with two equivalent O(5)Li3CoNi square pyramids, and edges with three equivalent O(4)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and two equivalent Co(1) atoms to form OLi3Co2 square pyramids that share  a cornercorner with one O(1)Li2CoNi3 octahedra, corners with two equivalent O(3)Li2CoNi3 octahedra, corners with three equivalent O(4)Li2CoNi2 square pyramids, corners with three equivalent O(5)Li3CoNi square pyramids,  an edgeedge with one O(3)Li2CoNi3 octahedra, edges with two equivalent O(1)Li2CoNi3 octahedra,  an edgeedge with one O(4)Li2CoNi2 square pyramid, edges with two equivalent O(2)Li3Co2 square pyramids, and edges with two equivalent O(5)Li3CoNi square pyramids. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2CoNi3 octahedra that share  a cornercorner with one O(1)Li2CoNi3 octahedra,  a cornercorner with one O(3)Li2CoNi3 octahedra,  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(5)Li3CoNi square pyramid, corners with two equivalent O(2)Li3Co2 square pyramids, edges with two equivalent O(3)Li2CoNi3 octahedra, edges with four equivalent O(1)Li2CoNi3 octahedra,  an edgeedge with one O(2)Li3Co2 square pyramid, edges with two equivalent O(5)Li3CoNi square pyramids, and edges with three equivalent O(4)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Co(1), one Ni(1), and one Ni(2) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(1)Li2CoNi3 octahedra,  a cornercorner with one O(3)Li2CoNi3 octahedra,  a cornercorner with one O(4)Li2CoNi2 square pyramid, corners with three equivalent O(2)Li3Co2 square pyramids, corners with three equivalent O(5)Li3CoNi square pyramids, edges with three equivalent O(1)Li2CoNi3 octahedra, edges with three equivalent O(3)Li2CoNi3 octahedra,  an edgeedge with one O(2)Li3Co2 square pyramid, and  an edgeedge with one O(5)Li3CoNi square pyramid. The corner-sharing octahedral tilt angles range from 11-13°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), one Co(1), and one Ni(2) atom to form OLi3CoNi square pyramids that share  a cornercorner with one O(3)Li2CoNi3 octahedra, corners with two equivalent O(1)Li2CoNi3 octahedra, corners with three equivalent O(4)Li2CoNi2 square pyramids, corners with three equivalent O(2)Li3Co2 square pyramids, edges with two equivalent O(1)Li2CoNi3 octahedra, edges with two equivalent O(3)Li2CoNi3 octahedra,  an edgeedge with one O(4)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li3CoNi square pyramid, and edges with two equivalent O(2)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles range from 7-12°.
Li4Co2Ni3O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. The Li(1)-O(1) bond length is 2.11 Å. The Li(1)-O(2) bond length is 2.06 Å. The Li(1)-O(4) bond length is 2.12 Å. The Li(1)-O(5) bond length is 1.98 Å. There is one shorter (2.08 Å) and one longer (2.33 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. The Li(2)-O(1) bond length is 2.18 Å. The Li(2)-O(4) bond length is 2.13 Å. There is one shorter (2.03 Å) and one longer (2.25 Å) Li(2)-O(2) bond length. There is one shorter (2.05 Å) and one longer (2.11 Å) Li(2)-O(5) bond length. Co(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form CoO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. The Co(1)-O(1) bond length is 2.00 Å. The Co(1)-O(3) bond length is 1.97 Å. The Co(1)-O(4) bond length is 1.96 Å. The Co(1)-O(5) bond length is 1.82 Å. There is one shorter (1.83 Å) and one longer (1.88 Å) Co(1)-O(2) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. Both Ni(1)-O(1) bond lengths are 2.15 Å. Both Ni(1)-O(3) bond lengths are 1.97 Å. Both Ni(1)-O(4) bond lengths are 1.91 Å. In the second Ni site, Ni(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. The Ni(2)-O(4) bond length is 1.99 Å. The Ni(2)-O(5) bond length is 1.98 Å. There is one shorter (2.02 Å) and one longer (2.04 Å) Ni(2)-O(1) bond length. There is one shorter (2.03 Å) and one longer (2.08 Å) Ni(2)-O(3) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Co(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2CoNi3 octahedra that share  a cornercorner with one O(1)Li2CoNi3 octahedra,  a cornercorner with one O(3)Li2CoNi3 octahedra,  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(2)Li3Co2 square pyramid, corners with two equivalent O(5)Li3CoNi square pyramids,  an edgeedge with one O(1)Li2CoNi3 octahedra, edges with four equivalent O(3)Li2CoNi3 octahedra, edges with two equivalent O(2)Li3Co2 square pyramids, edges with two equivalent O(5)Li3CoNi square pyramids, and edges with three equivalent O(4)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and two equivalent Co(1) atoms to form OLi3Co2 square pyramids that share  a cornercorner with one O(1)Li2CoNi3 octahedra, corners with two equivalent O(3)Li2CoNi3 octahedra, corners with three equivalent O(4)Li2CoNi2 square pyramids, corners with three equivalent O(5)Li3CoNi square pyramids,  an edgeedge with one O(3)Li2CoNi3 octahedra, edges with two equivalent O(1)Li2CoNi3 octahedra,  an edgeedge with one O(4)Li2CoNi2 square pyramid, edges with two equivalent O(2)Li3Co2 square pyramids, and edges with two equivalent O(5)Li3CoNi square pyramids. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), one Ni(1), and two equivalent Ni(2) atoms to form OLi2CoNi3 octahedra that share  a cornercorner with one O(1)Li2CoNi3 octahedra,  a cornercorner with one O(3)Li2CoNi3 octahedra,  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(5)Li3CoNi square pyramid, corners with two equivalent O(2)Li3Co2 square pyramids, edges with two equivalent O(3)Li2CoNi3 octahedra, edges with four equivalent O(1)Li2CoNi3 octahedra,  an edgeedge with one O(2)Li3Co2 square pyramid, edges with two equivalent O(5)Li3CoNi square pyramids, and edges with three equivalent O(4)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Co(1), one Ni(1), and one Ni(2) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(1)Li2CoNi3 octahedra,  a cornercorner with one O(3)Li2CoNi3 octahedra,  a cornercorner with one O(4)Li2CoNi2 square pyramid, corners with three equivalent O(2)Li3Co2 square pyramids, corners with three equivalent O(5)Li3CoNi square pyramids, edges with three equivalent O(1)Li2CoNi3 octahedra, edges with three equivalent O(3)Li2CoNi3 octahedra,  an edgeedge with one O(2)Li3Co2 square pyramid, and  an edgeedge with one O(5)Li3CoNi square pyramid. The corner-sharing octahedral tilt angles range from 11-13°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), one Co(1), and one Ni(2) atom to form OLi3CoNi square pyramids that share  a cornercorner with one O(3)Li2CoNi3 octahedra, corners with two equivalent O(1)Li2CoNi3 octahedra, corners with three equivalent O(4)Li2CoNi2 square pyramids, corners with three equivalent O(2)Li3Co2 square pyramids, edges with two equivalent O(1)Li2CoNi3 octahedra, edges with two equivalent O(3)Li2CoNi3 octahedra,  an edgeedge with one O(4)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li3CoNi square pyramid, and edges with two equivalent O(2)Li3Co2 square pyramids. The corner-sharing octahedral tilt angles range from 7-12°.