The material described by Li4Co5NiO12 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(15), one O(21), one O(23), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Co(7)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and  a faceface with one Co(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the second Li site, Li(2) is bonded to one O(12), one O(16), one O(2), one O(22), one O(24), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(8)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and  a faceface with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the third Li site, Li(3) is bonded to one O(13), one O(17), one O(19), one O(4), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(8)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and  a faceface with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-53°. In the fourth Li site, Li(4) is bonded to one O(10), one O(14), one O(18), one O(20), one O(3), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Co(7)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and  a faceface with one Co(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. In the fifth Li site, Li(5) is bonded to one O(11), one O(15), one O(2), one O(21), one O(23), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(10)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and  a faceface with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-54°. In the sixth Li site, Li(6) is bonded to one O(1), one O(12), one O(16), one O(22), one O(24), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(10)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Co(9)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and  a faceface with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-54°. In the seventh Li site, Li(7) is bonded to one O(13), one O(17), one O(19), one O(3), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(10)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Co(9)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and  a faceface with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. In the eighth Li site, Li(8) is bonded to one O(10), one O(14), one O(18), one O(20), one O(4), and one O(5) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(10)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and  a faceface with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. There are ten inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(17), one O(20), one O(21), one O(24), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one 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(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Co site, Co(2) is bonded to one O(18), one O(19), one O(2), one O(22), one O(23), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)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(7)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Co site, Co(3) is bonded to one O(17), one O(19), one O(2), one O(21), one O(23), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one 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(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the fourth Co site, Co(4) is bonded to one O(1), one O(18), one O(20), one O(22), one O(24), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fifth Co site, Co(5) is bonded to one O(1), one O(17), one O(19), one O(21), one O(23), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the sixth Co site, Co(6) is bonded to one O(18), one O(2), one O(20), one O(22), one O(24), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the seventh Co site, Co(7) is bonded to one O(10), one O(11), one O(14), one O(15), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Co(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Co(10)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra,  a faceface with one Li(5)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. In the eighth Co site, Co(8) is bonded to one O(12), one O(13), one O(16), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Co(10)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Co(9)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra,  a faceface with one Li(6)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. In the ninth Co site, Co(9) is bonded to one O(12), one O(13), one O(16), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Co(8)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. In the tenth Co site, Co(10) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Co(7)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(14), one O(15), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra,  an edgeedge with one Co(9)O6 octahedra, edges with two equivalent Co(10)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(13), one O(16), one O(5), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Co(10)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with two equivalent Co(7)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(6), one Co(1), one Co(4), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, and  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Co(2), one Co(3), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, and  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid. In the third O site, O(3) is bonded to one Li(4), one Li(7), one Co(2), one Co(3), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid, and  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(3), one Li(8), one Co(1), one Co(4), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid, and  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(3), one Li(8), one Co(7), one Co(9), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(4)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid, and  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(4), one Li(7), one Co(10), one Co(8), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid, and  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Co(7), one Co(9), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid, and  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(6), one Co(10), one Co(8), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid, and  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(3), one Li(7), one Co(8), one Co(9), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(19)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(13)Li2Co2Ni trigonal bipyramids. In the tenth O site, O(10) is bonded to one Li(4), one Li(8), one Co(10), one Co(7), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(20)Li2Co3 square pyramids,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(14)Li2Co2Ni trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(5), one Co(10), one Co(7), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(23)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(15)Li2Co2Ni trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(6), one Co(8), one Co(9), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(24)Li2Co3 square pyramids,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(16)Li2Co2Ni trigonal bipyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(7), one Co(8), one Co(9), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(17)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(9)Li2Co2Ni trigonal bipyramids. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(8), one Co(10), one Co(7), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(18)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(10)Li2Co2Ni trigonal bipyramids. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(5), one Co(10), one Co(7), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(21)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(11)Li2Co2Ni trigonal bipyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(6), one Co(8), one Co(9), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(22)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(12)Li2Co2Ni trigonal bipyramids. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(7), one Co(1), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(13)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(19)Li2Co3 square pyramids, and  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid. In the eighteenth O site, O(18) is bonded to one Li(4), one Li(8), one Co(2), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(14)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(20)Li2Co3 square pyramids, and  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(7), one Co(2), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(9)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(17)Li2Co3 square pyramids, and  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid. In the twentieth O site, O(20) is bonded to one Li(4), one Li(8), one Co(1), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(10)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(18)Li2Co3 square pyramids, and  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(5), one Co(1), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(15)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(23)Li2Co3 square pyramids, and  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid. In the twenty-second O site, O(22) is bonded to one Li(2), one Li(6), one Co(2), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(16)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, edges with two equivalent O(24)Li2Co3 square pyramids, and  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(5), one Co(2), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(11)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, edges with two equivalent O(21)Li2Co3 square pyramids, and  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(6), one Co(1), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(12)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(22)Li2Co3 square pyramids, and  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co5NiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.951
_cell_length_b   5.006
_cell_length_c   10.079
_cell_angle_alpha   93.579
_cell_angle_beta   95.106
_cell_angle_gamma   119.369
_symmetry_Int_Tables_number   1
_cell_volume   215.205
_cell_formula_units_Z   1
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
  Co  Co0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.164  0.834  0.500  1.0
  Co  Co2  1  0.836  0.165  0.500  1.0
  Co  Co3  1  0.670  0.330  0.000  1.0
  Co  Co4  1  0.331  0.670  1.000  1.0
  Li  Li5  1  0.419  0.751  0.254  1.0
  Li  Li6  1  0.251  0.576  0.746  1.0
  Li  Li7  1  0.749  0.424  0.254  1.0
  Li  Li8  1  0.581  0.249  0.746  1.0
  Ni  Ni9  1  0.000  0.000  1.000  1.0
  O  O10  1  0.782  0.780  0.395  1.0
  O  O11  1  0.217  0.220  0.605  1.0
  O  O12  1  0.608  0.609  0.897  1.0
  O  O13  1  0.392  0.391  0.102  1.0
  O  O14  1  0.330  0.966  0.895  1.0
  O  O15  1  0.036  0.670  0.105  1.0
  O  O16  1  0.964  0.330  0.895  1.0
  O  O17  1  0.671  0.034  0.105  1.0
  O  O18  1  0.517  0.841  0.605  1.0
  O  O19  1  0.845  0.520  0.607  1.0
  O  O20  1  0.155  0.480  0.393  1.0
  O  O21  1  0.483  0.159  0.395  1.0
[/CIF]
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The material described by Li4Co5NiO12 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(15), one O(21), one O(23), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Co(7)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and  a faceface with one Co(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-54°. In the second Li site, Li(2) is bonded to one O(12), one O(16), one O(2), one O(22), one O(24), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(8)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and  a faceface with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the third Li site, Li(3) is bonded to one O(13), one O(17), one O(19), one O(4), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(8)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and  a faceface with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-53°. In the fourth Li site, Li(4) is bonded to one O(10), one O(14), one O(18), one O(20), one O(3), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Co(7)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and  a faceface with one Co(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. In the fifth Li site, Li(5) is bonded to one O(11), one O(15), one O(2), one O(21), one O(23), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(10)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and  a faceface with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-54°. In the sixth Li site, Li(6) is bonded to one O(1), one O(12), one O(16), one O(22), one O(24), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(10)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Co(9)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and  a faceface with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-54°. In the seventh Li site, Li(7) is bonded to one O(13), one O(17), one O(19), one O(3), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(10)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Co(9)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and  a faceface with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-54°. In the eighth Li site, Li(8) is bonded to one O(10), one O(14), one O(18), one O(20), one O(4), and one O(5) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra,  a cornercorner with one Co(9)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(10)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and  a faceface with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. There are ten inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(17), one O(20), one O(21), one O(24), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one 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(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the second Co site, Co(2) is bonded to one O(18), one O(19), one O(2), one O(22), one O(23), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)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(7)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Co site, Co(3) is bonded to one O(17), one O(19), one O(2), one O(21), one O(23), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one 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(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the fourth Co site, Co(4) is bonded to one O(1), one O(18), one O(20), one O(22), one O(24), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fifth Co site, Co(5) is bonded to one O(1), one O(17), one O(19), one O(21), one O(23), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the sixth Co site, Co(6) is bonded to one O(18), one O(2), one O(20), one O(22), one O(24), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the seventh Co site, Co(7) is bonded to one O(10), one O(11), one O(14), one O(15), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Co(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Co(10)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra,  a faceface with one Li(5)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. In the eighth Co site, Co(8) is bonded to one O(12), one O(13), one O(16), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Co(10)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Co(9)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra,  a faceface with one Li(6)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. In the ninth Co site, Co(9) is bonded to one O(12), one O(13), one O(16), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Co(8)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. In the tenth Co site, Co(10) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Co(7)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(14), one O(15), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra,  an edgeedge with one Co(9)O6 octahedra, edges with two equivalent Co(10)O6 octahedra, and edges with two equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second Ni site, Ni(2) is bonded to one O(10), one O(11), one O(13), one O(16), one O(5), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Co(10)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with two equivalent Co(7)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(6), one Co(1), one Co(4), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, and  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Co(2), one Co(3), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, and  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid. In the third O site, O(3) is bonded to one Li(4), one Li(7), one Co(2), one Co(3), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid, and  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(3), one Li(8), one Co(1), one Co(4), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid, and  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(3), one Li(8), one Co(7), one Co(9), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(4)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid, and  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(4), one Li(7), one Co(10), one Co(8), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid, and  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Co(7), one Co(9), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid, and  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(6), one Co(10), one Co(8), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid, and  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid. In the ninth O site, O(9) is bonded to one Li(3), one Li(7), one Co(8), one Co(9), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(19)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(13)Li2Co2Ni trigonal bipyramids. In the tenth O site, O(10) is bonded to one Li(4), one Li(8), one Co(10), one Co(7), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(20)Li2Co3 square pyramids,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(14)Li2Co2Ni trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(5), one Co(10), one Co(7), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(23)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(15)Li2Co2Ni trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(6), one Co(8), one Co(9), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(24)Li2Co3 square pyramids,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(16)Li2Co2Ni trigonal bipyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(7), one Co(8), one Co(9), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(17)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(16)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(9)Li2Co2Ni trigonal bipyramids. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(8), one Co(10), one Co(7), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(18)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(15)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(10)Li2Co2Ni trigonal bipyramids. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(5), one Co(10), one Co(7), and one Ni(1) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(21)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(14)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(9)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(6)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(11)Li2Co2Ni trigonal bipyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(6), one Co(8), one Co(9), and one Ni(2) atom to form distorted OLi2Co2Ni trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(22)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(11)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(13)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(5)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(7)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(8)Li2Co2Ni trigonal bipyramid,  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid, and edges with two equivalent O(12)Li2Co2Ni trigonal bipyramids. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(7), one Co(1), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(13)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(19)Li2Co3 square pyramids, and  an edgeedge with one O(9)Li2Co2Ni trigonal bipyramid. In the eighteenth O site, O(18) is bonded to one Li(4), one Li(8), one Co(2), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(14)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(20)Li2Co3 square pyramids, and  an edgeedge with one O(10)Li2Co2Ni trigonal bipyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(7), one Co(2), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(9)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(17)Li2Co3 square pyramids, and  an edgeedge with one O(13)Li2Co2Ni trigonal bipyramid. In the twentieth O site, O(20) is bonded to one Li(4), one Li(8), one Co(1), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(6)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(10)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(18)Li2Co3 square pyramids, and  an edgeedge with one O(14)Li2Co2Ni trigonal bipyramid. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(5), one Co(1), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(15)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(23)Li2Co3 square pyramids, and  an edgeedge with one O(11)Li2Co2Ni trigonal bipyramid. In the twenty-second O site, O(22) is bonded to one Li(2), one Li(6), one Co(2), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(16)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, edges with two equivalent O(24)Li2Co3 square pyramids, and  an edgeedge with one O(12)Li2Co2Ni trigonal bipyramid. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(5), one Co(2), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(11)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, edges with two equivalent O(21)Li2Co3 square pyramids, and  an edgeedge with one O(15)Li2Co2Ni trigonal bipyramid. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(6), one Co(1), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid,  a cornercorner with one O(7)Li2Co2Ni trigonal bipyramid,  a cornercorner with one O(8)Li2Co2Ni trigonal bipyramid, corners with two equivalent O(12)Li2Co2Ni trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(22)Li2Co3 square pyramids, and  an edgeedge with one O(16)Li2Co2Ni trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co5NiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.951
_cell_length_b   5.006
_cell_length_c   10.079
_cell_angle_alpha   93.579
_cell_angle_beta   95.106
_cell_angle_gamma   119.369
_symmetry_Int_Tables_number   1
_cell_volume   215.205
_cell_formula_units_Z   1
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
  Co  Co0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.164  0.834  0.500  1.0
  Co  Co2  1  0.836  0.165  0.500  1.0
  Co  Co3  1  0.670  0.330  0.000  1.0
  Co  Co4  1  0.331  0.670  1.000  1.0
  Li  Li5  1  0.419  0.751  0.254  1.0
  Li  Li6  1  0.251  0.576  0.746  1.0
  Li  Li7  1  0.749  0.424  0.254  1.0
  Li  Li8  1  0.581  0.249  0.746  1.0
  Ni  Ni9  1  0.000  0.000  1.000  1.0
  O  O10  1  0.782  0.780  0.395  1.0
  O  O11  1  0.217  0.220  0.605  1.0
  O  O12  1  0.608  0.609  0.897  1.0
  O  O13  1  0.392  0.391  0.102  1.0
  O  O14  1  0.330  0.966  0.895  1.0
  O  O15  1  0.036  0.670  0.105  1.0
  O  O16  1  0.964  0.330  0.895  1.0
  O  O17  1  0.671  0.034  0.105  1.0
  O  O18  1  0.517  0.841  0.605  1.0
  O  O19  1  0.845  0.520  0.607  1.0
  O  O20  1  0.155  0.480  0.393  1.0
  O  O21  1  0.483  0.159  0.395  1.0
[/CIF]
.