Li3Co2NiO6 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(9), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. In the second Li site, Li(2) is bonded to one O(10), one O(11), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the third Li site, Li(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(11) atoms to form LiO6 octahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), two equivalent O(12), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth Li site, Li(5) is bonded to one O(1), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the sixth Li site, Li(6) is bonded to one O(2), one O(8), two equivalent O(10), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with four equivalent Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(8), one O(9), two equivalent O(1), and two equivalent O(11) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Co site, Co(2) is bonded to one O(10), one O(7), two equivalent O(12), and two equivalent O(2) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third Co site, Co(3) is bonded to one O(11), one O(5), two equivalent O(3), and two equivalent O(9) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Co site, Co(4) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with four equivalent Li(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(5), two equivalent Li(3), two equivalent Co(1), and one Ni(1) atom to form OLi3Co2Ni octahedra that share  a cornercorner with one O(4)Li3Co2Ni octahedra,  a cornercorner with one O(7)Li3CoNi2 octahedra, corners with four equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(6), two equivalent Li(4), two equivalent Co(2), and one Ni(2) atom to form OLi3Co2Ni octahedra that share  a cornercorner with one O(3)Li3Co2Ni octahedra,  a cornercorner with one O(8)Li3CoNi2 octahedra, corners with four equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(5), two equivalent Co(3), and one Ni(2) atom to form OLi3Co2Ni octahedra that share  a cornercorner with one O(2)Li3Co2Ni octahedra,  a cornercorner with one O(6)Li3CoNi2 octahedra, corners with four equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(6), two equivalent Co(4), and one Ni(1) atom to form OLi3Co2Ni octahedra that share  a cornercorner with one O(1)Li3Co2Ni octahedra,  a cornercorner with one O(5)Li3CoNi2 octahedra, corners with four equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(1), one Co(3), and two equivalent Ni(2) atoms to form distorted OLi3CoNi2 octahedra that share  a cornercorner with one O(4)Li3Co2Ni octahedra,  a cornercorner with one O(11)Li3Co3 octahedra, corners with four equivalent O(7)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the sixth O site, O(6) is bonded to one Li(3), two equivalent Li(2), one Co(4), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share  a cornercorner with one O(3)Li3Co2Ni octahedra,  a cornercorner with one O(12)Li3Co3 octahedra, corners with four equivalent O(8)Li3CoNi2 octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the seventh O site, O(7) is bonded to one Li(5), two equivalent Li(1), one Co(2), and two equivalent Ni(2) atoms to form OLi3CoNi2 octahedra that share  a cornercorner with one O(1)Li3Co2Ni octahedra,  a cornercorner with one O(10)Li3Co3 octahedra, corners with four equivalent O(5)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighth O site, O(8) is bonded to one Li(6), two equivalent Li(2), one Co(1), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share  a cornercorner with one O(2)Li3Co2Ni octahedra,  a cornercorner with one O(9)Li3Co3 octahedra, corners with four equivalent O(6)Li3CoNi2 octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the ninth O site, O(9) is bonded to one Li(1), two equivalent Li(5), one Co(1), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(12)Li3Co3 octahedra,  a cornercorner with one O(8)Li3CoNi2 octahedra, corners with four equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Li(6), one Co(2), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(11)Li3Co3 octahedra,  a cornercorner with one O(7)Li3CoNi2 octahedra, corners with four equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the eleventh O site, O(11) is bonded to one Li(2), two equivalent Li(3), one Co(3), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(10)Li3Co3 octahedra,  a cornercorner with one O(5)Li3CoNi2 octahedra, corners with four equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Li(4), one Co(4), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(9)Li3Co3 octahedra,  a cornercorner with one O(6)Li3CoNi2 octahedra, corners with four equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°.
Li3Co2NiO6 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(9), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. The Li(1)-O(12) bond length is 2.08 Å. The Li(1)-O(9) bond length is 2.24 Å. There is one shorter (2.08 Å) and one longer (2.09 Å) Li(1)-O(5) bond length. Both Li(1)-O(7) bond lengths are 2.06 Å. In the second Li site, Li(2) is bonded to one O(10), one O(11), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. The Li(2)-O(10) bond length is 2.09 Å. The Li(2)-O(11) bond length is 2.27 Å. There is one shorter (2.08 Å) and one longer (2.09 Å) Li(2)-O(6) bond length. There is one shorter (2.08 Å) and one longer (2.09 Å) Li(2)-O(8) bond length. In the third Li site, Li(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(11) atoms to form LiO6 octahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. The Li(3)-O(3) bond length is 2.09 Å. The Li(3)-O(6) bond length is 2.12 Å. There is one shorter (2.11 Å) and one longer (2.12 Å) Li(3)-O(1) bond length. Both Li(3)-O(11) bond lengths are 2.18 Å. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), two equivalent O(12), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. The Li(4)-O(4) bond length is 1.98 Å. The Li(4)-O(5) bond length is 2.37 Å. Both Li(4)-O(12) bond lengths are 2.15 Å. Both Li(4)-O(2) bond lengths are 2.12 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. The Li(5)-O(1) bond length is 2.05 Å. The Li(5)-O(7) bond length is 2.14 Å. There is one shorter (2.16 Å) and one longer (2.17 Å) Li(5)-O(3) bond length. Both Li(5)-O(9) bond lengths are 2.17 Å. In the sixth Li site, Li(6) is bonded to one O(2), one O(8), two equivalent O(10), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with four equivalent Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. The Li(6)-O(2) bond length is 2.01 Å. The Li(6)-O(8) bond length is 2.28 Å. Both Li(6)-O(10) bond lengths are 2.15 Å. There is one shorter (2.12 Å) and one longer (2.13 Å) Li(6)-O(4) bond length. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(8), one O(9), two equivalent O(1), and two equivalent O(11) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. The Co(1)-O(8) bond length is 1.90 Å. The Co(1)-O(9) bond length is 1.95 Å. Both Co(1)-O(1) bond lengths are 1.93 Å. Both Co(1)-O(11) bond lengths are 1.95 Å. In the second Co site, Co(2) is bonded to one O(10), one O(7), two equivalent O(12), and two equivalent O(2) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. The Co(2)-O(10) bond length is 1.94 Å. The Co(2)-O(7) bond length is 1.95 Å. Both Co(2)-O(12) bond lengths are 1.95 Å. Both Co(2)-O(2) bond lengths are 1.94 Å. In the third Co site, Co(3) is bonded to one O(11), one O(5), two equivalent O(3), and two equivalent O(9) atoms to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. The Co(3)-O(11) bond length is 1.91 Å. The Co(3)-O(5) bond length is 1.86 Å. Both Co(3)-O(3) bond lengths are 1.91 Å. Both Co(3)-O(9) bond lengths are 1.92 Å. In the fourth Co site, Co(4) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with four equivalent Li(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. The Co(4)-O(12) bond length is 1.94 Å. The Co(4)-O(6) bond length is 1.94 Å. Both Co(4)-O(10) bond lengths are 1.95 Å. Both Co(4)-O(4) bond lengths are 1.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. The Ni(1)-O(1) bond length is 2.11 Å. The Ni(1)-O(4) bond length is 2.05 Å. There is one shorter (2.00 Å) and one longer (2.01 Å) Ni(1)-O(6) bond length. There is one shorter (2.00 Å) and one longer (2.01 Å) Ni(1)-O(8) bond length. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. The Ni(2)-O(2) bond length is 2.04 Å. The Ni(2)-O(3) bond length is 2.14 Å. There is one shorter (2.03 Å) and one longer (2.04 Å) Ni(2)-O(5) bond length. Both Ni(2)-O(7) bond lengths are 2.01 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(5), two equivalent Li(3), two equivalent Co(1), and one Ni(1) atom to form OLi3Co2Ni octahedra that share  a cornercorner with one O(4)Li3Co2Ni octahedra,  a cornercorner with one O(7)Li3CoNi2 octahedra, corners with four equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(6), two equivalent Li(4), two equivalent Co(2), and one Ni(2) atom to form OLi3Co2Ni octahedra that share  a cornercorner with one O(3)Li3Co2Ni octahedra,  a cornercorner with one O(8)Li3CoNi2 octahedra, corners with four equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(5), two equivalent Co(3), and one Ni(2) atom to form OLi3Co2Ni octahedra that share  a cornercorner with one O(2)Li3Co2Ni octahedra,  a cornercorner with one O(6)Li3CoNi2 octahedra, corners with four equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(6), two equivalent Co(4), and one Ni(1) atom to form OLi3Co2Ni octahedra that share  a cornercorner with one O(1)Li3Co2Ni octahedra,  a cornercorner with one O(5)Li3CoNi2 octahedra, corners with four equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(1), one Co(3), and two equivalent Ni(2) atoms to form distorted OLi3CoNi2 octahedra that share  a cornercorner with one O(4)Li3Co2Ni octahedra,  a cornercorner with one O(11)Li3Co3 octahedra, corners with four equivalent O(7)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the sixth O site, O(6) is bonded to one Li(3), two equivalent Li(2), one Co(4), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share  a cornercorner with one O(3)Li3Co2Ni octahedra,  a cornercorner with one O(12)Li3Co3 octahedra, corners with four equivalent O(8)Li3CoNi2 octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the seventh O site, O(7) is bonded to one Li(5), two equivalent Li(1), one Co(2), and two equivalent Ni(2) atoms to form OLi3CoNi2 octahedra that share  a cornercorner with one O(1)Li3Co2Ni octahedra,  a cornercorner with one O(10)Li3Co3 octahedra, corners with four equivalent O(5)Li3CoNi2 octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighth O site, O(8) is bonded to one Li(6), two equivalent Li(2), one Co(1), and two equivalent Ni(1) atoms to form OLi3CoNi2 octahedra that share  a cornercorner with one O(2)Li3Co2Ni octahedra,  a cornercorner with one O(9)Li3Co3 octahedra, corners with four equivalent O(6)Li3CoNi2 octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the ninth O site, O(9) is bonded to one Li(1), two equivalent Li(5), one Co(1), and two equivalent Co(3) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(12)Li3Co3 octahedra,  a cornercorner with one O(8)Li3CoNi2 octahedra, corners with four equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Li(6), one Co(2), and two equivalent Co(4) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(11)Li3Co3 octahedra,  a cornercorner with one O(7)Li3CoNi2 octahedra, corners with four equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the eleventh O site, O(11) is bonded to one Li(2), two equivalent Li(3), one Co(3), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(10)Li3Co3 octahedra,  a cornercorner with one O(5)Li3CoNi2 octahedra, corners with four equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(1)Li3Co2Ni octahedra, edges with two equivalent O(3)Li3Co2Ni octahedra, edges with two equivalent O(11)Li3Co3 octahedra, edges with two equivalent O(9)Li3Co3 octahedra, edges with two equivalent O(6)Li3CoNi2 octahedra, and edges with two equivalent O(8)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Li(4), one Co(4), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(9)Li3Co3 octahedra,  a cornercorner with one O(6)Li3CoNi2 octahedra, corners with four equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(2)Li3Co2Ni octahedra, edges with two equivalent O(4)Li3Co2Ni octahedra, edges with two equivalent O(10)Li3Co3 octahedra, edges with two equivalent O(12)Li3Co3 octahedra, edges with two equivalent O(5)Li3CoNi2 octahedra, and edges with two equivalent O(7)Li3CoNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°.