The material described by Li3CoNi3O8 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(9)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(13), one O(14), one O(16), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the fifth Li site, Li(5) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(15) atom to form LiO6 octahedra that share corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(14), one O(15), one O(16), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the seventh Li site, Li(7) is bonded to one O(17), one O(18), one O(19), one O(21), one O(22), and one O(24) atom to form LiO6 octahedra that share corners with three equivalent Ni(6)O6 octahedra, corners with three equivalent Ni(9)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the eighth Li site, Li(8) is bonded to one O(17), one O(18), one O(20), one O(22), one O(23), and one O(24) atom to form LiO6 octahedra that share corners with three equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the ninth Li site, Li(9) is bonded to one O(17), one O(19), one O(20), one O(21), one O(23), and one O(24) atom to form LiO6 octahedra that share corners with three equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(8)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Co site, Co(2) is bonded to one O(13), one O(15), one O(16), one O(18), one O(19), and one O(20) atom to form CoO6 octahedra that share  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. In the third Co site, Co(3) is bonded to one O(2), one O(21), one O(22), one O(23), one O(3), and one O(4) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the second Ni site, Ni(2) is bonded to one O(11), one O(12), one O(5), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the third Ni site, Ni(3) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fourth Ni site, Ni(4) is bonded to one O(13), one O(14), one O(15), one O(17), one O(19), and one O(20) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fifth Ni site, Ni(5) is bonded to one O(13), one O(14), one O(16), one O(17), one O(18), and one O(20) atom to form NiO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the sixth Ni site, Ni(6) is bonded to one O(14), one O(15), one O(16), one O(17), one O(18), and one O(19) atom to form NiO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(2), one O(22), one O(23), one O(24), and one O(3) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the eighth Ni site, Ni(8) is bonded to one O(1), one O(2), one O(21), one O(23), one O(24), and one O(4) atom to form NiO6 octahedra that share corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the ninth Ni site, Ni(9) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(7), one Ni(8), and one Ni(9) atom to form OLi2Ni3 square pyramids that share corners with three equivalent O(24)Li3Ni3 octahedra,  a cornercorner with one O(2)Li2CoNi2 square pyramid,  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(5)Li2CoNi2 square pyramid,  a cornercorner with one O(6)Li2CoNi2 square pyramid, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid, and  an edgeedge with one O(4)Li2CoNi2 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Co(3), one Ni(7), and one Ni(8) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(6)Li2CoNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2CoNi2 square pyramids, corners with three equivalent O(23)Li2CoNi2 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra,  an edgeedge with one O(24)Li3Ni3 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(4)Li2CoNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Co(3), one Ni(7), and one Ni(9) atom to form OLi3CoNi2 octahedra that share corners with three equivalent O(7)Li3CoNi2 octahedra, corners with three equivalent O(22)Li2CoNi2 square pyramids,  an edgeedge with one O(24)Li3Ni3 octahedra,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2CoNi2 square pyramids, edges with two equivalent O(4)Li2CoNi2 square pyramids, and edges with two equivalent O(1)Li2Ni3 square pyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Co(3), one Ni(8), and one Ni(9) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(2)Li2CoNi2 square pyramid,  a cornercorner with one O(5)Li2CoNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(6)Li2CoNi2 square pyramids, corners with three equivalent O(21)Li2CoNi2 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra,  an edgeedge with one O(24)Li3Ni3 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Co(1), one Ni(2), and one Ni(3) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(6)Li2CoNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2CoNi2 square pyramids, corners with three equivalent O(12)Li2CoNi2 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra,  an edgeedge with one O(11)Li3Ni3 octahedra, edges with two equivalent O(7)Li3CoNi2 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid,  an edgeedge with one O(9)Li2CoNi2 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Co(1), one Ni(1), and one Ni(3) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(2)Li2CoNi2 square pyramid,  a cornercorner with one O(5)Li2CoNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(4)Li2CoNi2 square pyramids, corners with three equivalent O(10)Li2CoNi2 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra,  an edgeedge with one O(11)Li3Ni3 octahedra, edges with two equivalent O(7)Li3CoNi2 octahedra,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(9)Li2CoNi2 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Ni(1), and one Ni(2) atom to form OLi3CoNi2 octahedra that share corners with three equivalent O(3)Li3CoNi2 octahedra, corners with three equivalent O(9)Li2CoNi2 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(4)Li2CoNi2 square pyramid,  an edgeedge with one O(1)Li2Ni3 square pyramid, edges with two equivalent O(5)Li2CoNi2 square pyramids, edges with two equivalent O(6)Li2CoNi2 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share corners with three equivalent O(11)Li3Ni3 octahedra,  a cornercorner with one O(2)Li2CoNi2 square pyramid,  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(5)Li2CoNi2 square pyramid,  a cornercorner with one O(6)Li2CoNi2 square pyramid, corners with two equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra, edges with two equivalent O(7)Li3CoNi2 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid, and  an edgeedge with one O(9)Li2CoNi2 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the ninth O site, O(9) is bonded to one Li(4), one Li(6), one Co(1), one Ni(1), and one Ni(2) atom to form OLi2CoNi2 square pyramids that share corners with three equivalent O(7)Li3CoNi2 octahedra,  a cornercorner with one O(10)Li2CoNi2 square pyramid,  a cornercorner with one O(12)Li2CoNi2 square pyramid,  a cornercorner with one O(13)Li2CoNi2 square pyramid,  a cornercorner with one O(15)Li2CoNi2 square pyramid, corners with two equivalent O(16)Li2CoNi2 square pyramids,  an edgeedge with one O(14)Li3Ni3 octahedra, edges with two equivalent O(11)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), one Co(1), one Ni(1), and one Ni(3) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(12)Li2CoNi2 square pyramid,  a cornercorner with one O(13)Li2CoNi2 square pyramid,  a cornercorner with one O(16)Li2CoNi2 square pyramid,  a cornercorner with one O(9)Li2CoNi2 square pyramid, corners with two equivalent O(15)Li2CoNi2 square pyramids, corners with three equivalent O(6)Li2CoNi2 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra,  an edgeedge with one O(14)Li3Ni3 octahedra, edges with two equivalent O(11)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(9)Li2CoNi2 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(14)Li3Ni3 octahedra, corners with three equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid, edges with two equivalent O(10)Li2CoNi2 square pyramids, edges with two equivalent O(12)Li2CoNi2 square pyramids, and edges with two equivalent O(9)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 3-5°. In the twelfth O site, O(12) is bonded to one Li(4), one Li(5), one Co(1), one Ni(2), and one Ni(3) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(10)Li2CoNi2 square pyramid,  a cornercorner with one O(15)Li2CoNi2 square pyramid,  a cornercorner with one O(16)Li2CoNi2 square pyramid,  a cornercorner with one O(9)Li2CoNi2 square pyramid, corners with two equivalent O(13)Li2CoNi2 square pyramids, corners with three equivalent O(5)Li2CoNi2 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra,  an edgeedge with one O(14)Li3Ni3 octahedra, edges with two equivalent O(11)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid,  an edgeedge with one O(9)Li2CoNi2 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Co(2), one Ni(4), and one Ni(5) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(10)Li2CoNi2 square pyramid,  a cornercorner with one O(15)Li2CoNi2 square pyramid,  a cornercorner with one O(16)Li2CoNi2 square pyramid,  a cornercorner with one O(9)Li2CoNi2 square pyramid, corners with two equivalent O(12)Li2CoNi2 square pyramids, corners with three equivalent O(20)Li2CoNi2 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(14)Li3Ni3 octahedra,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(18)Li2CoNi2 square pyramid, and  an edgeedge with one O(19)Li2CoNi2 square pyramid. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Li(6), one Ni(4), one Ni(5), and one Ni(6) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(11)Li3Ni3 octahedra, corners with three equivalent O(17)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(18)Li2CoNi2 square pyramid,  an edgeedge with one O(19)Li2CoNi2 square pyramid,  an edgeedge with one O(20)Li2CoNi2 square pyramid,  an edgeedge with one O(9)Li2CoNi2 square pyramid, edges with two equivalent O(13)Li2CoNi2 square pyramids, edges with two equivalent O(15)Li2CoNi2 square pyramids, and edges with two equivalent O(16)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-5°. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(6), one Co(2), one Ni(4), and one Ni(6) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(12)Li2CoNi2 square pyramid,  a cornercorner with one O(13)Li2CoNi2 square pyramid,  a cornercorner with one O(16)Li2CoNi2 square pyramid,  a cornercorner with one O(9)Li2CoNi2 square pyramid, corners with two equivalent O(10)Li2CoNi2 square pyramids, corners with three equivalent O(19)Li2CoNi2 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(14)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(18)Li2CoNi2 square pyramid, and  an edgeedge with one O(20)Li2CoNi2 square pyramid. In the sixteenth O site, O(16) is bonded to one Li(4), one Li(6), one Co(2), one Ni(5), and one Ni(6) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(10)Li2CoNi2 square pyramid,  a cornercorner with one O(12)Li2CoNi2 square pyramid,  a cornercorner with one O(13)Li2CoNi2 square pyramid,  a cornercorner with one O(15)Li2CoNi2 square pyramid, corners with two equivalent O(9)Li2CoNi2 square pyramids, corners with three equivalent O(18)Li2CoNi2 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(14)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(19)Li2CoNi2 square pyramid, and  an edgeedge with one O(20)Li2CoNi2 square pyramid. In the seventeenth O site, O(17) is bonded to one Li(7), one Li(8), one Li(9), one Ni(4), one Ni(5), and one Ni(6) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(14)Li3Ni3 octahedra, corners with three equivalent O(24)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid, edges with two equivalent O(18)Li2CoNi2 square pyramids, edges with two equivalent O(19)Li2CoNi2 square pyramids, and edges with two equivalent O(20)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-5°. In the eighteenth O site, O(18) is bonded to one Li(7), one Li(8), one Co(2), one Ni(5), and one Ni(6) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(19)Li2CoNi2 square pyramid,  a cornercorner with one O(20)Li2CoNi2 square pyramid,  a cornercorner with one O(21)Li2CoNi2 square pyramid,  a cornercorner with one O(23)Li2CoNi2 square pyramid, corners with two equivalent O(22)Li2CoNi2 square pyramids, corners with three equivalent O(16)Li2CoNi2 square pyramids,  an edgeedge with one O(14)Li3Ni3 octahedra,  an edgeedge with one O(24)Li3Ni3 octahedra, edges with two equivalent O(17)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(19)Li2CoNi2 square pyramid, and  an edgeedge with one O(20)Li2CoNi2 square pyramid. In the nineteenth O site, O(19) is bonded to one Li(7), one Li(9), one Co(2), one Ni(4), and one Ni(6) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(18)Li2CoNi2 square pyramid,  a cornercorner with one O(20)Li2CoNi2 square pyramid,  a cornercorner with one O(22)Li2CoNi2 square pyramid,  a cornercorner with one O(23)Li2CoNi2 square pyramid, corners with two equivalent O(21)Li2CoNi2 square pyramids, corners with three equivalent O(15)Li2CoNi2 square pyramids,  an edgeedge with one O(14)Li3Ni3 octahedra,  an edgeedge with one O(24)Li3Ni3 octahedra, edges with two equivalent O(17)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(18)Li2CoNi2 square pyramid, and  an edgeedge with one O(20)Li2CoNi2 square pyramid. In the twentieth O site, O(20) is bonded to one Li(8), one Li(9), one Co(2), one Ni(4), and one Ni(5) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(18)Li2CoNi2 square pyramid,  a cornercorner with one O(19)Li2CoNi2 square pyramid,  a cornercorner with one O(21)Li2CoNi2 square pyramid,  a cornercorner with one O(22)Li2CoNi2 square pyramid, corners with two equivalent O(23)Li2CoNi2 square pyramids, corners with three equivalent O(13)Li2CoNi2 square pyramids,  an edgeedge with one O(14)Li3Ni3 octahedra,  an edgeedge with one O(24)Li3Ni3 octahedra, edges with two equivalent O(17)Li3Ni3 octahedra,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(18)Li2CoNi2 square pyramid, and  an edgeedge with one O(19)Li2CoNi2 square pyramid. In the twenty-first O site, O(21) is bonded to one Li(7), one Li(9), one Co(3), one Ni(8), and one Ni(9) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(18)Li2CoNi2 square pyramid,  a cornercorner with one O(20)Li2CoNi2 square pyramid,  a cornercorner with one O(22)Li2CoNi2 square pyramid,  a cornercorner with one O(23)Li2CoNi2 square pyramid, corners with two equivalent O(19)Li2CoNi2 square pyramids, corners with three equivalent O(4)Li2CoNi2 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(24)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. In the twenty-second O site, O(22) is bonded to one Li(7), one Li(8), one Co(3), one Ni(7), and one Ni(9) atom to form OLi2CoNi2 square pyramids that share corners with three equivalent O(3)Li3CoNi2 octahedra,  a cornercorner with one O(19)Li2CoNi2 square pyramid,  a cornercorner with one O(20)Li2CoNi2 square pyramid,  a cornercorner with one O(21)Li2CoNi2 square pyramid,  a cornercorner with one O(23)Li2CoNi2 square pyramid, corners with two equivalent O(18)Li2CoNi2 square pyramids,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(24)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid,  an edgeedge with one O(4)Li2CoNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the twenty-third O site, O(23) is bonded to one Li(8), one Li(9), one Co(3), one Ni(7), and one Ni(8) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(18)Li2CoNi2 square pyramid,  a cornercorner with one O(19)Li2CoNi2 square pyramid,  a cornercorner with one O(21)Li2CoNi2 square pyramid,  a cornercorner with one O(22)Li2CoNi2 square pyramid, corners with two equivalent O(20)Li2CoNi2 square pyramids, corners with three equivalent O(2)Li2CoNi2 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(24)Li3Ni3 octahedra,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(4)Li2CoNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. In the twenty-fourth O site, O(24) is bonded to one Li(7), one Li(8), one Li(9), one Ni(7), one Ni(8), and one Ni(9) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(17)Li3Ni3 octahedra, corners with three equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra,  an edgeedge with one O(18)Li2CoNi2 square pyramid,  an edgeedge with one O(19)Li2CoNi2 square pyramid,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(20)Li2CoNi2 square pyramid,  an edgeedge with one O(4)Li2CoNi2 square pyramid, edges with two equivalent O(21)Li2CoNi2 square pyramids, edges with two equivalent O(22)Li2CoNi2 square pyramids, and edges with two equivalent O(23)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 3-5°. is represented by the CIF card [CIF]
data_Li3CoNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.775
_cell_length_b   5.793
_cell_length_c   14.326
_cell_angle_alpha   89.133
_cell_angle_beta   90.932
_cell_angle_gamma   121.586
_symmetry_Int_Tables_number   1
_cell_volume   408.138
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.833  0.667  0.833  1.0
  Li  Li1  1  0.333  0.167  0.833  1.0
  Li  Li2  1  0.333  0.667  0.833  1.0
  Li  Li3  1  0.500  0.001  0.500  1.0
  Li  Li4  1  0.501  0.497  0.499  1.0
  Li  Li5  1  0.000  0.500  0.502  1.0
  Li  Li6  1  0.666  0.833  0.165  1.0
  Li  Li7  1  0.167  0.333  0.166  1.0
  Li  Li8  1  0.166  0.836  0.167  1.0
  Co  Co9  1  0.668  0.334  0.670  1.0
  Co  Co10  1  0.333  0.667  0.333  1.0
  Co  Co11  1  0.998  1.000  0.997  1.0
  Ni  Ni12  1  0.669  0.835  0.667  1.0
  Ni  Ni13  1  0.166  0.332  0.667  1.0
  Ni  Ni14  1  0.168  0.835  0.664  1.0
  Ni  Ni15  1  0.833  0.167  0.333  1.0
  Ni  Ni16  1  0.833  0.667  0.333  1.0
  Ni  Ni17  1  0.333  0.167  0.333  1.0
  Ni  Ni18  1  0.501  0.002  1.000  1.0
  Ni  Ni19  1  0.499  0.498  0.003  1.0
  Ni  Ni20  1  0.997  0.498  1.000  1.0
  O  O21  1  0.642  0.334  0.932  1.0
  O  O22  1  0.665  0.806  0.925  1.0
  O  O23  1  0.169  0.857  0.927  1.0
  O  O24  1  0.185  0.330  0.928  1.0
  O  O25  1  0.002  0.527  0.742  1.0
  O  O26  1  0.483  0.004  0.738  1.0
  O  O27  1  0.495  0.476  0.739  1.0
  O  O28  1  0.025  0.000  0.734  1.0
  O  O29  1  0.833  0.195  0.599  1.0
  O  O30  1  0.835  0.647  0.596  1.0
  O  O31  1  0.314  0.661  0.595  1.0
  O  O32  1  0.353  0.159  0.592  1.0
  O  O33  1  0.651  0.844  0.407  1.0
  O  O34  1  0.654  0.338  0.405  1.0
  O  O35  1  0.174  0.350  0.405  1.0
  O  O36  1  0.164  0.810  0.404  1.0
  O  O37  1  0.013  0.995  0.261  1.0
  O  O38  1  0.503  0.523  0.263  1.0
  O  O39  1  0.493  0.984  0.261  1.0
  O  O40  1  0.015  0.489  0.260  1.0
  O  O41  1  0.831  0.686  0.071  1.0
  O  O42  1  0.835  0.139  0.068  1.0
  O  O43  1  0.314  0.174  0.074  1.0
  O  O44  1  0.352  0.672  0.072  1.0
[/CIF]
.
The material described by Li3CoNi3O8 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(9)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(13), one O(14), one O(16), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the fifth Li site, Li(5) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(15) atom to form LiO6 octahedra that share corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(14), one O(15), one O(16), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the seventh Li site, Li(7) is bonded to one O(17), one O(18), one O(19), one O(21), one O(22), and one O(24) atom to form LiO6 octahedra that share corners with three equivalent Ni(6)O6 octahedra, corners with three equivalent Ni(9)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the eighth Li site, Li(8) is bonded to one O(17), one O(18), one O(20), one O(22), one O(23), and one O(24) atom to form LiO6 octahedra that share corners with three equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the ninth Li site, Li(9) is bonded to one O(17), one O(19), one O(20), one O(21), one O(23), and one O(24) atom to form LiO6 octahedra that share corners with three equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(8)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Co site, Co(2) is bonded to one O(13), one O(15), one O(16), one O(18), one O(19), and one O(20) atom to form CoO6 octahedra that share  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. In the third Co site, Co(3) is bonded to one O(2), one O(21), one O(22), one O(23), one O(3), and one O(4) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the second Ni site, Ni(2) is bonded to one O(11), one O(12), one O(5), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the third Ni site, Ni(3) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the fourth Ni site, Ni(4) is bonded to one O(13), one O(14), one O(15), one O(17), one O(19), and one O(20) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fifth Ni site, Ni(5) is bonded to one O(13), one O(14), one O(16), one O(17), one O(18), and one O(20) atom to form NiO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the sixth Ni site, Ni(6) is bonded to one O(14), one O(15), one O(16), one O(17), one O(18), and one O(19) atom to form NiO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the seventh Ni site, Ni(7) is bonded to one O(1), one O(2), one O(22), one O(23), one O(24), and one O(3) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the eighth Ni site, Ni(8) is bonded to one O(1), one O(2), one O(21), one O(23), one O(24), and one O(4) atom to form NiO6 octahedra that share corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the ninth Ni site, Ni(9) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(7), one Ni(8), and one Ni(9) atom to form OLi2Ni3 square pyramids that share corners with three equivalent O(24)Li3Ni3 octahedra,  a cornercorner with one O(2)Li2CoNi2 square pyramid,  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(5)Li2CoNi2 square pyramid,  a cornercorner with one O(6)Li2CoNi2 square pyramid, corners with two equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid, and  an edgeedge with one O(4)Li2CoNi2 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Co(3), one Ni(7), and one Ni(8) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(6)Li2CoNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2CoNi2 square pyramids, corners with three equivalent O(23)Li2CoNi2 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra,  an edgeedge with one O(24)Li3Ni3 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(4)Li2CoNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Co(3), one Ni(7), and one Ni(9) atom to form OLi3CoNi2 octahedra that share corners with three equivalent O(7)Li3CoNi2 octahedra, corners with three equivalent O(22)Li2CoNi2 square pyramids,  an edgeedge with one O(24)Li3Ni3 octahedra,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2CoNi2 square pyramids, edges with two equivalent O(4)Li2CoNi2 square pyramids, and edges with two equivalent O(1)Li2Ni3 square pyramids. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Co(3), one Ni(8), and one Ni(9) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(2)Li2CoNi2 square pyramid,  a cornercorner with one O(5)Li2CoNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(6)Li2CoNi2 square pyramids, corners with three equivalent O(21)Li2CoNi2 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra,  an edgeedge with one O(24)Li3Ni3 octahedra, edges with two equivalent O(3)Li3CoNi2 octahedra,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Co(1), one Ni(2), and one Ni(3) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(6)Li2CoNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2CoNi2 square pyramids, corners with three equivalent O(12)Li2CoNi2 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra,  an edgeedge with one O(11)Li3Ni3 octahedra, edges with two equivalent O(7)Li3CoNi2 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid,  an edgeedge with one O(9)Li2CoNi2 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Co(1), one Ni(1), and one Ni(3) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(2)Li2CoNi2 square pyramid,  a cornercorner with one O(5)Li2CoNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(4)Li2CoNi2 square pyramids, corners with three equivalent O(10)Li2CoNi2 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra,  an edgeedge with one O(11)Li3Ni3 octahedra, edges with two equivalent O(7)Li3CoNi2 octahedra,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(9)Li2CoNi2 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Ni(1), and one Ni(2) atom to form OLi3CoNi2 octahedra that share corners with three equivalent O(3)Li3CoNi2 octahedra, corners with three equivalent O(9)Li2CoNi2 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(4)Li2CoNi2 square pyramid,  an edgeedge with one O(1)Li2Ni3 square pyramid, edges with two equivalent O(5)Li2CoNi2 square pyramids, edges with two equivalent O(6)Li2CoNi2 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share corners with three equivalent O(11)Li3Ni3 octahedra,  a cornercorner with one O(2)Li2CoNi2 square pyramid,  a cornercorner with one O(4)Li2CoNi2 square pyramid,  a cornercorner with one O(5)Li2CoNi2 square pyramid,  a cornercorner with one O(6)Li2CoNi2 square pyramid, corners with two equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra, edges with two equivalent O(7)Li3CoNi2 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid, and  an edgeedge with one O(9)Li2CoNi2 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the ninth O site, O(9) is bonded to one Li(4), one Li(6), one Co(1), one Ni(1), and one Ni(2) atom to form OLi2CoNi2 square pyramids that share corners with three equivalent O(7)Li3CoNi2 octahedra,  a cornercorner with one O(10)Li2CoNi2 square pyramid,  a cornercorner with one O(12)Li2CoNi2 square pyramid,  a cornercorner with one O(13)Li2CoNi2 square pyramid,  a cornercorner with one O(15)Li2CoNi2 square pyramid, corners with two equivalent O(16)Li2CoNi2 square pyramids,  an edgeedge with one O(14)Li3Ni3 octahedra, edges with two equivalent O(11)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), one Co(1), one Ni(1), and one Ni(3) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(12)Li2CoNi2 square pyramid,  a cornercorner with one O(13)Li2CoNi2 square pyramid,  a cornercorner with one O(16)Li2CoNi2 square pyramid,  a cornercorner with one O(9)Li2CoNi2 square pyramid, corners with two equivalent O(15)Li2CoNi2 square pyramids, corners with three equivalent O(6)Li2CoNi2 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra,  an edgeedge with one O(14)Li3Ni3 octahedra, edges with two equivalent O(11)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(9)Li2CoNi2 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(14)Li3Ni3 octahedra, corners with three equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(5)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid, edges with two equivalent O(10)Li2CoNi2 square pyramids, edges with two equivalent O(12)Li2CoNi2 square pyramids, and edges with two equivalent O(9)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 3-5°. In the twelfth O site, O(12) is bonded to one Li(4), one Li(5), one Co(1), one Ni(2), and one Ni(3) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(10)Li2CoNi2 square pyramid,  a cornercorner with one O(15)Li2CoNi2 square pyramid,  a cornercorner with one O(16)Li2CoNi2 square pyramid,  a cornercorner with one O(9)Li2CoNi2 square pyramid, corners with two equivalent O(13)Li2CoNi2 square pyramids, corners with three equivalent O(5)Li2CoNi2 square pyramids,  an edgeedge with one O(7)Li3CoNi2 octahedra,  an edgeedge with one O(14)Li3Ni3 octahedra, edges with two equivalent O(11)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(6)Li2CoNi2 square pyramid,  an edgeedge with one O(9)Li2CoNi2 square pyramid, and  an edgeedge with one O(8)Li2Ni3 square pyramid. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Co(2), one Ni(4), and one Ni(5) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(10)Li2CoNi2 square pyramid,  a cornercorner with one O(15)Li2CoNi2 square pyramid,  a cornercorner with one O(16)Li2CoNi2 square pyramid,  a cornercorner with one O(9)Li2CoNi2 square pyramid, corners with two equivalent O(12)Li2CoNi2 square pyramids, corners with three equivalent O(20)Li2CoNi2 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(14)Li3Ni3 octahedra,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(18)Li2CoNi2 square pyramid, and  an edgeedge with one O(19)Li2CoNi2 square pyramid. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Li(6), one Ni(4), one Ni(5), and one Ni(6) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(11)Li3Ni3 octahedra, corners with three equivalent O(17)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(12)Li2CoNi2 square pyramid,  an edgeedge with one O(18)Li2CoNi2 square pyramid,  an edgeedge with one O(19)Li2CoNi2 square pyramid,  an edgeedge with one O(20)Li2CoNi2 square pyramid,  an edgeedge with one O(9)Li2CoNi2 square pyramid, edges with two equivalent O(13)Li2CoNi2 square pyramids, edges with two equivalent O(15)Li2CoNi2 square pyramids, and edges with two equivalent O(16)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-5°. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(6), one Co(2), one Ni(4), and one Ni(6) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(12)Li2CoNi2 square pyramid,  a cornercorner with one O(13)Li2CoNi2 square pyramid,  a cornercorner with one O(16)Li2CoNi2 square pyramid,  a cornercorner with one O(9)Li2CoNi2 square pyramid, corners with two equivalent O(10)Li2CoNi2 square pyramids, corners with three equivalent O(19)Li2CoNi2 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(14)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(18)Li2CoNi2 square pyramid, and  an edgeedge with one O(20)Li2CoNi2 square pyramid. In the sixteenth O site, O(16) is bonded to one Li(4), one Li(6), one Co(2), one Ni(5), and one Ni(6) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(10)Li2CoNi2 square pyramid,  a cornercorner with one O(12)Li2CoNi2 square pyramid,  a cornercorner with one O(13)Li2CoNi2 square pyramid,  a cornercorner with one O(15)Li2CoNi2 square pyramid, corners with two equivalent O(9)Li2CoNi2 square pyramids, corners with three equivalent O(18)Li2CoNi2 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(14)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(19)Li2CoNi2 square pyramid, and  an edgeedge with one O(20)Li2CoNi2 square pyramid. In the seventeenth O site, O(17) is bonded to one Li(7), one Li(8), one Li(9), one Ni(4), one Ni(5), and one Ni(6) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(14)Li3Ni3 octahedra, corners with three equivalent O(24)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid, edges with two equivalent O(18)Li2CoNi2 square pyramids, edges with two equivalent O(19)Li2CoNi2 square pyramids, and edges with two equivalent O(20)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-5°. In the eighteenth O site, O(18) is bonded to one Li(7), one Li(8), one Co(2), one Ni(5), and one Ni(6) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(19)Li2CoNi2 square pyramid,  a cornercorner with one O(20)Li2CoNi2 square pyramid,  a cornercorner with one O(21)Li2CoNi2 square pyramid,  a cornercorner with one O(23)Li2CoNi2 square pyramid, corners with two equivalent O(22)Li2CoNi2 square pyramids, corners with three equivalent O(16)Li2CoNi2 square pyramids,  an edgeedge with one O(14)Li3Ni3 octahedra,  an edgeedge with one O(24)Li3Ni3 octahedra, edges with two equivalent O(17)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(19)Li2CoNi2 square pyramid, and  an edgeedge with one O(20)Li2CoNi2 square pyramid. In the nineteenth O site, O(19) is bonded to one Li(7), one Li(9), one Co(2), one Ni(4), and one Ni(6) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(18)Li2CoNi2 square pyramid,  a cornercorner with one O(20)Li2CoNi2 square pyramid,  a cornercorner with one O(22)Li2CoNi2 square pyramid,  a cornercorner with one O(23)Li2CoNi2 square pyramid, corners with two equivalent O(21)Li2CoNi2 square pyramids, corners with three equivalent O(15)Li2CoNi2 square pyramids,  an edgeedge with one O(14)Li3Ni3 octahedra,  an edgeedge with one O(24)Li3Ni3 octahedra, edges with two equivalent O(17)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(18)Li2CoNi2 square pyramid, and  an edgeedge with one O(20)Li2CoNi2 square pyramid. In the twentieth O site, O(20) is bonded to one Li(8), one Li(9), one Co(2), one Ni(4), and one Ni(5) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(18)Li2CoNi2 square pyramid,  a cornercorner with one O(19)Li2CoNi2 square pyramid,  a cornercorner with one O(21)Li2CoNi2 square pyramid,  a cornercorner with one O(22)Li2CoNi2 square pyramid, corners with two equivalent O(23)Li2CoNi2 square pyramids, corners with three equivalent O(13)Li2CoNi2 square pyramids,  an edgeedge with one O(14)Li3Ni3 octahedra,  an edgeedge with one O(24)Li3Ni3 octahedra, edges with two equivalent O(17)Li3Ni3 octahedra,  an edgeedge with one O(15)Li2CoNi2 square pyramid,  an edgeedge with one O(16)Li2CoNi2 square pyramid,  an edgeedge with one O(18)Li2CoNi2 square pyramid, and  an edgeedge with one O(19)Li2CoNi2 square pyramid. In the twenty-first O site, O(21) is bonded to one Li(7), one Li(9), one Co(3), one Ni(8), and one Ni(9) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(18)Li2CoNi2 square pyramid,  a cornercorner with one O(20)Li2CoNi2 square pyramid,  a cornercorner with one O(22)Li2CoNi2 square pyramid,  a cornercorner with one O(23)Li2CoNi2 square pyramid, corners with two equivalent O(19)Li2CoNi2 square pyramids, corners with three equivalent O(4)Li2CoNi2 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(24)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. In the twenty-second O site, O(22) is bonded to one Li(7), one Li(8), one Co(3), one Ni(7), and one Ni(9) atom to form OLi2CoNi2 square pyramids that share corners with three equivalent O(3)Li3CoNi2 octahedra,  a cornercorner with one O(19)Li2CoNi2 square pyramid,  a cornercorner with one O(20)Li2CoNi2 square pyramid,  a cornercorner with one O(21)Li2CoNi2 square pyramid,  a cornercorner with one O(23)Li2CoNi2 square pyramid, corners with two equivalent O(18)Li2CoNi2 square pyramids,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(24)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(23)Li2CoNi2 square pyramid,  an edgeedge with one O(4)Li2CoNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the twenty-third O site, O(23) is bonded to one Li(8), one Li(9), one Co(3), one Ni(7), and one Ni(8) atom to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(18)Li2CoNi2 square pyramid,  a cornercorner with one O(19)Li2CoNi2 square pyramid,  a cornercorner with one O(21)Li2CoNi2 square pyramid,  a cornercorner with one O(22)Li2CoNi2 square pyramid, corners with two equivalent O(20)Li2CoNi2 square pyramids, corners with three equivalent O(2)Li2CoNi2 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra,  an edgeedge with one O(17)Li3Ni3 octahedra, edges with two equivalent O(24)Li3Ni3 octahedra,  an edgeedge with one O(21)Li2CoNi2 square pyramid,  an edgeedge with one O(22)Li2CoNi2 square pyramid,  an edgeedge with one O(4)Li2CoNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. In the twenty-fourth O site, O(24) is bonded to one Li(7), one Li(8), one Li(9), one Ni(7), one Ni(8), and one Ni(9) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(17)Li3Ni3 octahedra, corners with three equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3CoNi2 octahedra,  an edgeedge with one O(18)Li2CoNi2 square pyramid,  an edgeedge with one O(19)Li2CoNi2 square pyramid,  an edgeedge with one O(2)Li2CoNi2 square pyramid,  an edgeedge with one O(20)Li2CoNi2 square pyramid,  an edgeedge with one O(4)Li2CoNi2 square pyramid, edges with two equivalent O(21)Li2CoNi2 square pyramids, edges with two equivalent O(22)Li2CoNi2 square pyramids, and edges with two equivalent O(23)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles range from 3-5°. is represented by the CIF card [CIF]
data_Li3CoNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.775
_cell_length_b   5.793
_cell_length_c   14.326
_cell_angle_alpha   89.133
_cell_angle_beta   90.932
_cell_angle_gamma   121.586
_symmetry_Int_Tables_number   1
_cell_volume   408.138
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.833  0.667  0.833  1.0
  Li  Li1  1  0.333  0.167  0.833  1.0
  Li  Li2  1  0.333  0.667  0.833  1.0
  Li  Li3  1  0.500  0.001  0.500  1.0
  Li  Li4  1  0.501  0.497  0.499  1.0
  Li  Li5  1  0.000  0.500  0.502  1.0
  Li  Li6  1  0.666  0.833  0.165  1.0
  Li  Li7  1  0.167  0.333  0.166  1.0
  Li  Li8  1  0.166  0.836  0.167  1.0
  Co  Co9  1  0.668  0.334  0.670  1.0
  Co  Co10  1  0.333  0.667  0.333  1.0
  Co  Co11  1  0.998  1.000  0.997  1.0
  Ni  Ni12  1  0.669  0.835  0.667  1.0
  Ni  Ni13  1  0.166  0.332  0.667  1.0
  Ni  Ni14  1  0.168  0.835  0.664  1.0
  Ni  Ni15  1  0.833  0.167  0.333  1.0
  Ni  Ni16  1  0.833  0.667  0.333  1.0
  Ni  Ni17  1  0.333  0.167  0.333  1.0
  Ni  Ni18  1  0.501  0.002  1.000  1.0
  Ni  Ni19  1  0.499  0.498  0.003  1.0
  Ni  Ni20  1  0.997  0.498  1.000  1.0
  O  O21  1  0.642  0.334  0.932  1.0
  O  O22  1  0.665  0.806  0.925  1.0
  O  O23  1  0.169  0.857  0.927  1.0
  O  O24  1  0.185  0.330  0.928  1.0
  O  O25  1  0.002  0.527  0.742  1.0
  O  O26  1  0.483  0.004  0.738  1.0
  O  O27  1  0.495  0.476  0.739  1.0
  O  O28  1  0.025  0.000  0.734  1.0
  O  O29  1  0.833  0.195  0.599  1.0
  O  O30  1  0.835  0.647  0.596  1.0
  O  O31  1  0.314  0.661  0.595  1.0
  O  O32  1  0.353  0.159  0.592  1.0
  O  O33  1  0.651  0.844  0.407  1.0
  O  O34  1  0.654  0.338  0.405  1.0
  O  O35  1  0.174  0.350  0.405  1.0
  O  O36  1  0.164  0.810  0.404  1.0
  O  O37  1  0.013  0.995  0.261  1.0
  O  O38  1  0.503  0.523  0.263  1.0
  O  O39  1  0.493  0.984  0.261  1.0
  O  O40  1  0.015  0.489  0.260  1.0
  O  O41  1  0.831  0.686  0.071  1.0
  O  O42  1  0.835  0.139  0.068  1.0
  O  O43  1  0.314  0.174  0.074  1.0
  O  O44  1  0.352  0.672  0.072  1.0
[/CIF]
.