The structure described by Li4Co3NiO8 is Caswellsilverite-derived structured and 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(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)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 Li(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 6-11°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)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 Li(6)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(14), one O(4), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Li site, Li(4) is bonded to one O(12), one O(13), one O(2), one O(3), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fifth Li site, Li(5) is bonded to one O(13), one O(15), one O(2), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)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 5-10°. In the sixth Li site, Li(6) is bonded to one O(1), one O(14), one O(16), one O(3), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the seventh Li site, Li(7) is bonded to one O(12), one O(16), one O(2), one O(3), one O(5), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(11), one O(15), one O(4), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(15), one O(2), one O(4), one O(5), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Co site, Co(2) is bonded to one O(13), one O(16), one O(2), one O(3), one O(5), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)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, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(12), one O(14), one O(3), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(7)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,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth Co site, Co(4) is bonded to one O(1), one O(10), one O(12), one O(16), one O(3), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fifth Co site, Co(5) is bonded to one O(1), one O(14), one O(15), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the sixth Co site, Co(6) is bonded to one O(11), one O(13), one O(2), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(7)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,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(5)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(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Ni site, Ni(2) is bonded to one O(12), one O(13), one O(16), one O(5), 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(2)O6 octahedra,  an edgeedge with one Li(5)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(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(6), one Li(8), one Co(3), one Co(4), and one Co(5) atom to form OLi3Co3 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(4)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co2Ni octahedra, edges with two equivalent O(14)Li3Co2Ni octahedra, and edges with two equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second O site, O(2) is bonded to one Li(4), one Li(5), one Li(7), one Co(1), one Co(2), and one Co(6) atom to form OLi3Co3 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(4)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra, edges with two equivalent O(13)Li3Co2Ni octahedra, edges with two equivalent O(5)Li3Co2Ni octahedra, and edges with two equivalent O(9)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(4), one Li(6), one Li(7), one Co(2), one Co(3), and one Co(4) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra, edges with two equivalent O(12)Li3Co2Ni octahedra, edges with two equivalent O(16)Li3Co2Ni octahedra, and edges with two equivalent O(8)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one Li(8), one Co(1), one Co(5), and one Co(6) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra, edges with two equivalent O(11)Li3Co2Ni octahedra, edges with two equivalent O(15)Li3Co2Ni octahedra, and edges with two equivalent O(7)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one Li(7), one Co(1), one Co(2), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(15)Li3Co2Ni octahedra, corners with three equivalent O(16)Li3Co2Ni octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co2Ni octahedra, edges with two equivalent O(9)Li3Co2Ni octahedra, and edges with two equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the sixth O site, O(6) is bonded to one Li(2), one Li(6), one Li(8), one Co(4), one Co(5), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(15)Li3Co2Ni octahedra, corners with three equivalent O(16)Li3Co2Ni octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co2Ni octahedra, edges with two equivalent O(14)Li3Co2Ni octahedra, and edges with two equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(5), one Co(5), one Co(6), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(13)Li3Co2Ni octahedra, corners with three equivalent O(14)Li3Co2Ni octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co2Ni octahedra, edges with two equivalent O(15)Li3Co2Ni octahedra, and edges with two equivalent O(4)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(6), one Co(2), one Co(3), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(13)Li3Co2Ni octahedra, corners with three equivalent O(14)Li3Co2Ni octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co2Ni octahedra, edges with two equivalent O(16)Li3Co2Ni octahedra, and edges with two equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Li(7), one Co(1), one Co(6), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(11)Li3Co2Ni octahedra, corners with three equivalent O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co2Ni octahedra, edges with two equivalent O(5)Li3Co2Ni octahedra, and edges with two equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(8), one Co(3), one Co(4), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(11)Li3Co2Ni octahedra, corners with three equivalent O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(14)Li3Co2Ni octahedra, edges with two equivalent O(6)Li3Co2Ni octahedra, and edges with two equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(8), one Co(1), one Co(6), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(10)Li3Co2Ni octahedra, corners with three equivalent O(9)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(15)Li3Co2Ni octahedra, edges with two equivalent O(7)Li3Co2Ni octahedra, and edges with two equivalent O(4)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Li(7), one Co(3), one Co(4), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(10)Li3Co2Ni octahedra, corners with three equivalent O(9)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(16)Li3Co2Ni octahedra, edges with two equivalent O(8)Li3Co2Ni octahedra, and edges with two equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(4), one Li(5), one Co(2), one Co(6), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(7)Li3Co2Ni octahedra, corners with three equivalent O(8)Li3Co2Ni octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(5)Li3Co2Ni octahedra, edges with two equivalent O(9)Li3Co2Ni octahedra, and edges with two equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(3), one Li(6), one Co(3), one Co(5), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(7)Li3Co2Ni octahedra, corners with three equivalent O(8)Li3Co2Ni octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co2Ni octahedra, edges with two equivalent O(6)Li3Co2Ni octahedra, and edges with two equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(5), one Li(8), one Co(1), one Co(5), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(5)Li3Co2Ni octahedra, corners with three equivalent O(6)Li3Co2Ni octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co2Ni octahedra, edges with two equivalent O(7)Li3Co2Ni octahedra, and edges with two equivalent O(4)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(6), one Li(7), one Co(2), one Co(4), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(5)Li3Co2Ni octahedra, corners with three equivalent O(6)Li3Co2Ni octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co2Ni octahedra, edges with two equivalent O(8)Li3Co2Ni octahedra, and edges with two equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.885
_cell_length_b   5.860
_cell_length_c   10.042
_cell_angle_alpha   106.168
_cell_angle_beta   90.113
_cell_angle_gamma   59.869
_symmetry_Int_Tables_number   1
_cell_volume   283.680
_cell_formula_units_Z   2
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  0.750  0.497  0.751  1.0
  Li  Li1  1  0.252  0.502  0.249  1.0
  Li  Li2  1  0.991  0.505  0.509  1.0
  Li  Li3  1  0.507  0.496  0.991  1.0
  Li  Li4  1  0.250  0.495  0.748  1.0
  Li  Li5  1  0.746  0.504  0.252  1.0
  Li  Li6  1  0.004  0.503  0.009  1.0
  Li  Li7  1  0.499  0.497  0.489  1.0
  Co  Co8  1  0.748  0.997  0.751  1.0
  Co  Co9  1  0.505  0.001  0.000  1.0
  Co  Co10  1  0.749  0.006  0.250  1.0
  Co  Co11  1  0.247  0.005  0.250  1.0
  Co  Co12  1  0.998  0.002  0.501  1.0
  Co  Co13  1  0.252  0.989  0.752  1.0
  Ni  Ni14  1  0.500  0.000  0.500  1.0
  Ni  Ni15  1  0.001  0.000  0.000  1.0
  O  O16  1  0.872  0.234  0.368  1.0
  O  O17  1  0.401  0.221  0.874  1.0
  O  O18  1  0.625  0.782  0.126  1.0
  O  O19  1  0.097  0.768  0.632  1.0
  O  O20  1  0.852  0.779  0.873  1.0
  O  O21  1  0.363  0.770  0.371  1.0
  O  O22  1  0.126  0.224  0.624  1.0
  O  O23  1  0.636  0.225  0.129  1.0
  O  O24  1  0.871  0.221  0.862  1.0
  O  O25  1  0.407  0.225  0.362  1.0
  O  O26  1  0.626  0.775  0.638  1.0
  O  O27  1  0.094  0.779  0.138  1.0
  O  O28  1  0.371  0.770  0.874  1.0
  O  O29  1  0.870  0.782  0.371  1.0
  O  O30  1  0.639  0.223  0.633  1.0
  O  O31  1  0.150  0.224  0.123  1.0
[/CIF]
.
The structure described by Li4Co3NiO8 is Caswellsilverite-derived structured and 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(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)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 Li(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 6-11°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)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 Li(6)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(14), one O(4), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Li site, Li(4) is bonded to one O(12), one O(13), one O(2), one O(3), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fifth Li site, Li(5) is bonded to one O(13), one O(15), one O(2), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)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 5-10°. In the sixth Li site, Li(6) is bonded to one O(1), one O(14), one O(16), one O(3), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the seventh Li site, Li(7) is bonded to one O(12), one O(16), one O(2), one O(3), one O(5), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(11), one O(15), one O(4), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(15), one O(2), one O(4), one O(5), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Co site, Co(2) is bonded to one O(13), one O(16), one O(2), one O(3), one O(5), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)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, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(12), one O(14), one O(3), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(7)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,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth Co site, Co(4) is bonded to one O(1), one O(10), one O(12), one O(16), one O(3), and one O(6) atom to form CoO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fifth Co site, Co(5) is bonded to one O(1), one O(14), one O(15), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the sixth Co site, Co(6) is bonded to one O(11), one O(13), one O(2), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(7)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,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(5)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(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Ni site, Ni(2) is bonded to one O(12), one O(13), one O(16), one O(5), 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(2)O6 octahedra,  an edgeedge with one Li(5)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(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(6), one Li(8), one Co(3), one Co(4), and one Co(5) atom to form OLi3Co3 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(4)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co2Ni octahedra, edges with two equivalent O(14)Li3Co2Ni octahedra, and edges with two equivalent O(6)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second O site, O(2) is bonded to one Li(4), one Li(5), one Li(7), one Co(1), one Co(2), and one Co(6) atom to form OLi3Co3 octahedra that share corners with three equivalent O(3)Li3Co3 octahedra, corners with three equivalent O(4)Li3Co3 octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra, edges with two equivalent O(13)Li3Co2Ni octahedra, edges with two equivalent O(5)Li3Co2Ni octahedra, and edges with two equivalent O(9)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(4), one Li(6), one Li(7), one Co(2), one Co(3), and one Co(4) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra, edges with two equivalent O(12)Li3Co2Ni octahedra, edges with two equivalent O(16)Li3Co2Ni octahedra, and edges with two equivalent O(8)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one Li(8), one Co(1), one Co(5), and one Co(6) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra, edges with two equivalent O(11)Li3Co2Ni octahedra, edges with two equivalent O(15)Li3Co2Ni octahedra, and edges with two equivalent O(7)Li3Co2Ni octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one Li(7), one Co(1), one Co(2), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(15)Li3Co2Ni octahedra, corners with three equivalent O(16)Li3Co2Ni octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co2Ni octahedra, edges with two equivalent O(9)Li3Co2Ni octahedra, and edges with two equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the sixth O site, O(6) is bonded to one Li(2), one Li(6), one Li(8), one Co(4), one Co(5), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(15)Li3Co2Ni octahedra, corners with three equivalent O(16)Li3Co2Ni octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co2Ni octahedra, edges with two equivalent O(14)Li3Co2Ni octahedra, and edges with two equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(5), one Co(5), one Co(6), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(13)Li3Co2Ni octahedra, corners with three equivalent O(14)Li3Co2Ni octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co2Ni octahedra, edges with two equivalent O(15)Li3Co2Ni octahedra, and edges with two equivalent O(4)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(6), one Co(2), one Co(3), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(13)Li3Co2Ni octahedra, corners with three equivalent O(14)Li3Co2Ni octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co2Ni octahedra, edges with two equivalent O(16)Li3Co2Ni octahedra, and edges with two equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Li(7), one Co(1), one Co(6), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(11)Li3Co2Ni octahedra, corners with three equivalent O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(13)Li3Co2Ni octahedra, edges with two equivalent O(5)Li3Co2Ni octahedra, and edges with two equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(8), one Co(3), one Co(4), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(11)Li3Co2Ni octahedra, corners with three equivalent O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(7)Li3Co2Ni octahedra,  an edgeedge with one O(8)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(14)Li3Co2Ni octahedra, edges with two equivalent O(6)Li3Co2Ni octahedra, and edges with two equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(8), one Co(1), one Co(6), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(10)Li3Co2Ni octahedra, corners with three equivalent O(9)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(15)Li3Co2Ni octahedra, edges with two equivalent O(7)Li3Co2Ni octahedra, and edges with two equivalent O(4)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Li(7), one Co(3), one Co(4), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(10)Li3Co2Ni octahedra, corners with three equivalent O(9)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(5)Li3Co2Ni octahedra,  an edgeedge with one O(6)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(16)Li3Co2Ni octahedra, edges with two equivalent O(8)Li3Co2Ni octahedra, and edges with two equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(4), one Li(5), one Co(2), one Co(6), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(7)Li3Co2Ni octahedra, corners with three equivalent O(8)Li3Co2Ni octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(5)Li3Co2Ni octahedra, edges with two equivalent O(9)Li3Co2Ni octahedra, and edges with two equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(3), one Li(6), one Co(3), one Co(5), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(7)Li3Co2Ni octahedra, corners with three equivalent O(8)Li3Co2Ni octahedra,  an edgeedge with one O(11)Li3Co2Ni octahedra,  an edgeedge with one O(12)Li3Co2Ni octahedra,  an edgeedge with one O(15)Li3Co2Ni octahedra,  an edgeedge with one O(16)Li3Co2Ni octahedra,  an edgeedge with one O(3)Li3Co3 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(10)Li3Co2Ni octahedra, edges with two equivalent O(6)Li3Co2Ni octahedra, and edges with two equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(5), one Li(8), one Co(1), one Co(5), and one Ni(1) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(5)Li3Co2Ni octahedra, corners with three equivalent O(6)Li3Co2Ni octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co2Ni octahedra, edges with two equivalent O(7)Li3Co2Ni octahedra, and edges with two equivalent O(4)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(6), one Li(7), one Co(2), one Co(4), and one Ni(2) atom to form OLi3Co2Ni octahedra that share corners with three equivalent O(5)Li3Co2Ni octahedra, corners with three equivalent O(6)Li3Co2Ni octahedra,  an edgeedge with one O(10)Li3Co2Ni octahedra,  an edgeedge with one O(13)Li3Co2Ni octahedra,  an edgeedge with one O(14)Li3Co2Ni octahedra,  an edgeedge with one O(9)Li3Co2Ni octahedra,  an edgeedge with one O(1)Li3Co3 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co2Ni octahedra, edges with two equivalent O(8)Li3Co2Ni octahedra, and edges with two equivalent O(3)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.885
_cell_length_b   5.860
_cell_length_c   10.042
_cell_angle_alpha   106.168
_cell_angle_beta   90.113
_cell_angle_gamma   59.869
_symmetry_Int_Tables_number   1
_cell_volume   283.680
_cell_formula_units_Z   2
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  0.750  0.497  0.751  1.0
  Li  Li1  1  0.252  0.502  0.249  1.0
  Li  Li2  1  0.991  0.505  0.509  1.0
  Li  Li3  1  0.507  0.496  0.991  1.0
  Li  Li4  1  0.250  0.495  0.748  1.0
  Li  Li5  1  0.746  0.504  0.252  1.0
  Li  Li6  1  0.004  0.503  0.009  1.0
  Li  Li7  1  0.499  0.497  0.489  1.0
  Co  Co8  1  0.748  0.997  0.751  1.0
  Co  Co9  1  0.505  0.001  0.000  1.0
  Co  Co10  1  0.749  0.006  0.250  1.0
  Co  Co11  1  0.247  0.005  0.250  1.0
  Co  Co12  1  0.998  0.002  0.501  1.0
  Co  Co13  1  0.252  0.989  0.752  1.0
  Ni  Ni14  1  0.500  0.000  0.500  1.0
  Ni  Ni15  1  0.001  0.000  0.000  1.0
  O  O16  1  0.872  0.234  0.368  1.0
  O  O17  1  0.401  0.221  0.874  1.0
  O  O18  1  0.625  0.782  0.126  1.0
  O  O19  1  0.097  0.768  0.632  1.0
  O  O20  1  0.852  0.779  0.873  1.0
  O  O21  1  0.363  0.770  0.371  1.0
  O  O22  1  0.126  0.224  0.624  1.0
  O  O23  1  0.636  0.225  0.129  1.0
  O  O24  1  0.871  0.221  0.862  1.0
  O  O25  1  0.407  0.225  0.362  1.0
  O  O26  1  0.626  0.775  0.638  1.0
  O  O27  1  0.094  0.779  0.138  1.0
  O  O28  1  0.371  0.770  0.874  1.0
  O  O29  1  0.870  0.782  0.371  1.0
  O  O30  1  0.639  0.223  0.633  1.0
  O  O31  1  0.150  0.224  0.123  1.0
[/CIF]
.