Li5CoNi9O20 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(20), one O(5), two equivalent O(10), and two equivalent O(17) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the second Li site, Li(2) is bonded to one O(1), one O(7), two equivalent O(11), and two equivalent O(16) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the third Li site, Li(3) is bonded to one O(8), one O(9), two equivalent O(13), and two equivalent O(18) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. In the fourth Li site, Li(4) is bonded to one O(15), one O(2), two equivalent O(12), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. In the fifth Li site, Li(5) is bonded to one O(13), one O(19), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(8)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, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. Co(1) is bonded to one O(10), one O(9), two equivalent O(19), and two equivalent O(20) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(14), one O(8), two equivalent O(17), and two equivalent O(3) atoms to form NiO6 octahedra that share  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 Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the second Ni site, Ni(2) is bonded to one O(18), one O(20), two equivalent O(4), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the third Ni site, Ni(3) is bonded to one O(1), one O(19), two equivalent O(10), and two equivalent O(12) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-18°. In the fourth Ni site, Ni(4) is bonded to one O(2), one O(4), two equivalent O(11), and two equivalent O(18) atoms to form NiO6 octahedra that share  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 Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the fifth Ni site, Ni(5) is bonded to one O(3), one O(7), two equivalent O(14), and two equivalent O(15) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the sixth Ni site, Ni(6) is bonded to one O(5), one O(6), two equivalent O(13), and two equivalent O(16) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the seventh Ni site, Ni(7) is bonded to one O(11), one O(12), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. In the eighth Ni site, Ni(8) is bonded to one O(15), one O(16), two equivalent O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(17), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(3), and two equivalent Ni(7) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(4), and two equivalent Ni(7) atoms. In the third O site, O(3) is bonded to two equivalent Li(4), one Ni(5), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(12)Li2Ni3 square pyramids, corners with two equivalent O(17)Li2Ni3 square pyramids, corners with two equivalent O(8)LiNi3 trigonal pyramids,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(17)Li2Ni3 square pyramid, and edges with two equivalent O(3)Li2Ni3 square pyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ni(4) and two equivalent Ni(2) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(6), and two equivalent Ni(9) atoms. In the sixth O site, O(6) is bonded to two equivalent Li(5), one Ni(6), and two equivalent Ni(8) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(9)Li3CoNi2 octahedra, corners with two equivalent O(19)LiCo2Ni trigonal pyramids,  an edgeedge with one O(9)Li3CoNi2 octahedra, edges with two equivalent O(13)Li3Ni3 octahedra, edges with two equivalent O(16)Li2Ni3 square pyramids, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 8-9°. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(5), and two equivalent Ni(8) atoms. In the eighth O site, O(8) is bonded to one Li(3), one Ni(1), and two equivalent Ni(9) atoms to form OLiNi3 trigonal pyramids that share  a cornercorner with one O(9)Li3CoNi2 octahedra, corners with two equivalent O(18)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(8)LiNi3 trigonal pyramids, edges with two equivalent O(13)Li3Ni3 octahedra, and edges with two equivalent O(17)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the ninth O site, O(9) is bonded to one Li(3), two equivalent Li(5), one Co(1), and two equivalent Ni(2) atoms to form OLi3CoNi2 octahedra that share  a cornercorner with one O(10)Li2CoNi2 square pyramid, corners with two equivalent O(6)Li2Ni3 square pyramids,  a cornercorner with one O(8)LiNi3 trigonal pyramid, edges with two equivalent O(9)Li3CoNi2 octahedra, edges with two equivalent O(13)Li3Ni3 octahedra,  an edgeedge with one O(6)Li2Ni3 square pyramid, edges with two equivalent O(18)Li2Ni3 square pyramids, and edges with two equivalent O(19)LiCo2Ni trigonal pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(1), one Co(1), and two equivalent Ni(3) atoms to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(9)Li3CoNi2 octahedra, corners with two equivalent O(12)Li2Ni3 square pyramids, corners with two equivalent O(17)Li2Ni3 square pyramids,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(17)Li2Ni3 square pyramid, edges with two equivalent O(10)Li2CoNi2 square pyramids, and edges with two equivalent O(19)LiCo2Ni trigonal pyramids. The corner-sharing octahedral tilt angles are 1°. In the eleventh O site, O(11) is bonded to two equivalent Li(2), one Ni(7), and two equivalent Ni(4) atoms to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(4), one Ni(7), and two equivalent Ni(3) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(11)Li2Ni3 square pyramid, corners with two equivalent O(10)Li2CoNi2 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(19)LiCo2Ni trigonal pyramids,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, and edges with two equivalent O(12)Li2Ni3 square pyramids. In the thirteenth O site, O(13) is bonded to one Li(5), two equivalent Li(3), one Ni(9), and two equivalent Ni(6) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(17)Li2Ni3 square pyramid, corners with two equivalent O(16)Li2Ni3 square pyramids, corners with two equivalent O(18)Li2Ni3 square pyramids,  a cornercorner with one O(19)LiCo2Ni trigonal pyramid, edges with two equivalent O(9)Li3CoNi2 octahedra, edges with two equivalent O(13)Li3Ni3 octahedra,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li2Ni3 square pyramid, edges with two equivalent O(6)Li2Ni3 square pyramids, and edges with two equivalent O(8)LiNi3 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(5) atoms. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(8), and two equivalent Ni(5) atoms. In the sixteenth O site, O(16) is bonded to two equivalent Li(2), one Ni(8), and two equivalent Ni(6) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(13)Li3Ni3 octahedra, corners with two equivalent O(11)Li2Ni3 square pyramids,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(11)Li2Ni3 square pyramid, edges with two equivalent O(16)Li2Ni3 square pyramids, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the seventeenth O site, O(17) is bonded to two equivalent Li(1), one Ni(9), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(13)Li3Ni3 octahedra, corners with two equivalent O(10)Li2CoNi2 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, edges with two equivalent O(17)Li2Ni3 square pyramids, and edges with two equivalent O(8)LiNi3 trigonal pyramids. The corner-sharing octahedral tilt angles are 3°. In the eighteenth O site, O(18) is bonded to two equivalent Li(3), one Ni(2), and two equivalent Ni(4) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(13)Li3Ni3 octahedra, corners with two equivalent O(11)Li2Ni3 square pyramids, corners with two equivalent O(8)LiNi3 trigonal pyramids,  an edgeedge with one O(13)Li3Ni3 octahedra, edges with two equivalent O(9)Li3CoNi2 octahedra,  an edgeedge with one O(11)Li2Ni3 square pyramid, and edges with two equivalent O(18)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 8-9°. In the nineteenth O site, O(19) is bonded to one Li(5), two equivalent Co(1), and one Ni(3) atom to form OLiCo2Ni trigonal pyramids that share  a cornercorner with one O(13)Li3Ni3 octahedra, corners with two equivalent O(12)Li2Ni3 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids, corners with two equivalent O(19)LiCo2Ni trigonal pyramids, edges with two equivalent O(9)Li3CoNi2 octahedra, and edges with two equivalent O(10)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles are 12°. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Co(1), and one Ni(2) atom.
Li5CoNi9O20 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(20), one O(5), two equivalent O(10), and two equivalent O(17) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. The Li(1)-O(20) bond length is 2.15 Å. The Li(1)-O(5) bond length is 2.15 Å. There is one shorter (2.12 Å) and one longer (2.14 Å) Li(1)-O(10) bond length. There is one shorter (2.06 Å) and one longer (2.18 Å) Li(1)-O(17) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(7), two equivalent O(11), and two equivalent O(16) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(7)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. The Li(2)-O(1) bond length is 2.14 Å. The Li(2)-O(7) bond length is 2.14 Å. There is one shorter (2.06 Å) and one longer (2.16 Å) Li(2)-O(11) bond length. There is one shorter (2.10 Å) and one longer (2.18 Å) Li(2)-O(16) bond length. In the third Li site, Li(3) is bonded to one O(8), one O(9), two equivalent O(13), and two equivalent O(18) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. The Li(3)-O(8) bond length is 2.05 Å. The Li(3)-O(9) bond length is 2.28 Å. There is one shorter (2.09 Å) and one longer (2.29 Å) Li(3)-O(13) bond length. There is one shorter (2.02 Å) and one longer (2.13 Å) Li(3)-O(18) bond length. In the fourth Li site, Li(4) is bonded to one O(15), one O(2), two equivalent O(12), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. The Li(4)-O(15) bond length is 2.15 Å. The Li(4)-O(2) bond length is 2.16 Å. There is one shorter (2.11 Å) and one longer (2.13 Å) Li(4)-O(12) bond length. There is one shorter (2.08 Å) and one longer (2.24 Å) Li(4)-O(3) bond length. In the fifth Li site, Li(5) is bonded to one O(13), one O(19), two equivalent O(6), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(8)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, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. The Li(5)-O(13) bond length is 2.29 Å. The Li(5)-O(19) bond length is 2.01 Å. There is one shorter (2.03 Å) and one longer (2.10 Å) Li(5)-O(6) bond length. There is one shorter (2.23 Å) and one longer (2.24 Å) Li(5)-O(9) bond length. Co(1) is bonded to one O(10), one O(9), two equivalent O(19), and two equivalent O(20) atoms to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. The Co(1)-O(10) bond length is 1.85 Å. The Co(1)-O(9) bond length is 1.88 Å. There is one shorter (1.88 Å) and one longer (1.90 Å) Co(1)-O(19) bond length. Both Co(1)-O(20) bond lengths are 1.90 Å. There are nine inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(14), one O(8), two equivalent O(17), and two equivalent O(3) atoms to form NiO6 octahedra that share  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 Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-17°. The Ni(1)-O(14) bond length is 1.93 Å. The Ni(1)-O(8) bond length is 1.97 Å. There is one shorter (1.91 Å) and one longer (2.08 Å) Ni(1)-O(17) bond length. There is one shorter (1.89 Å) and one longer (2.07 Å) Ni(1)-O(3) bond length. In the second Ni site, Ni(2) is bonded to one O(18), one O(20), two equivalent O(4), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. The Ni(2)-O(18) bond length is 1.86 Å. The Ni(2)-O(20) bond length is 1.91 Å. Both Ni(2)-O(4) bond lengths are 1.90 Å. There is one shorter (1.97 Å) and one longer (1.98 Å) Ni(2)-O(9) bond length. In the third Ni site, Ni(3) is bonded to one O(1), one O(19), two equivalent O(10), and two equivalent O(12) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-18°. The Ni(3)-O(1) bond length is 1.98 Å. The Ni(3)-O(19) bond length is 1.98 Å. There is one shorter (1.91 Å) and one longer (2.08 Å) Ni(3)-O(10) bond length. There is one shorter (1.90 Å) and one longer (2.07 Å) Ni(3)-O(12) bond length. In the fourth Ni site, Ni(4) is bonded to one O(2), one O(4), two equivalent O(11), and two equivalent O(18) atoms to form NiO6 octahedra that share  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 Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. The Ni(4)-O(2) bond length is 1.95 Å. The Ni(4)-O(4) bond length is 1.91 Å. There is one shorter (1.90 Å) and one longer (2.07 Å) Ni(4)-O(11) bond length. There is one shorter (1.91 Å) and one longer (2.09 Å) Ni(4)-O(18) bond length. In the fifth Ni site, Ni(5) is bonded to one O(3), one O(7), two equivalent O(14), and two equivalent O(15) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. The Ni(5)-O(3) bond length is 1.86 Å. The Ni(5)-O(7) bond length is 1.88 Å. There is one shorter (1.88 Å) and one longer (1.89 Å) Ni(5)-O(14) bond length. There is one shorter (1.89 Å) and one longer (1.91 Å) Ni(5)-O(15) bond length. In the sixth Ni site, Ni(6) is bonded to one O(5), one O(6), two equivalent O(13), and two equivalent O(16) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, edges with two equivalent Ni(8)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. The Ni(6)-O(5) bond length is 1.94 Å. The Ni(6)-O(6) bond length is 1.91 Å. There is one shorter (1.90 Å) and one longer (2.11 Å) Ni(6)-O(13) bond length. There is one shorter (1.88 Å) and one longer (2.09 Å) Ni(6)-O(16) bond length. In the seventh Ni site, Ni(7) is bonded to one O(11), one O(12), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The Ni(7)-O(11) bond length is 1.86 Å. The Ni(7)-O(12) bond length is 1.88 Å. There is one shorter (1.88 Å) and one longer (1.89 Å) Ni(7)-O(1) bond length. Both Ni(7)-O(2) bond lengths are 1.89 Å. In the eighth Ni site, Ni(8) is bonded to one O(15), one O(16), two equivalent O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. The Ni(8)-O(15) bond length is 1.90 Å. The Ni(8)-O(16) bond length is 1.88 Å. There is one shorter (1.92 Å) and one longer (2.03 Å) Ni(8)-O(6) bond length. There is one shorter (1.88 Å) and one longer (1.97 Å) Ni(8)-O(7) bond length. In the ninth Ni site, Ni(9) is bonded to one O(13), one O(17), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(6)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. The Ni(9)-O(13) bond length is 1.89 Å. The Ni(9)-O(17) bond length is 1.86 Å. There is one shorter (1.89 Å) and one longer (1.90 Å) Ni(9)-O(5) bond length. Both Ni(9)-O(8) bond lengths are 1.89 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(3), and two equivalent Ni(7) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(4), and two equivalent Ni(7) atoms. In the third O site, O(3) is bonded to two equivalent Li(4), one Ni(5), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(12)Li2Ni3 square pyramids, corners with two equivalent O(17)Li2Ni3 square pyramids, corners with two equivalent O(8)LiNi3 trigonal pyramids,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(17)Li2Ni3 square pyramid, and edges with two equivalent O(3)Li2Ni3 square pyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ni(4) and two equivalent Ni(2) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(6), and two equivalent Ni(9) atoms. In the sixth O site, O(6) is bonded to two equivalent Li(5), one Ni(6), and two equivalent Ni(8) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(9)Li3CoNi2 octahedra, corners with two equivalent O(19)LiCo2Ni trigonal pyramids,  an edgeedge with one O(9)Li3CoNi2 octahedra, edges with two equivalent O(13)Li3Ni3 octahedra, edges with two equivalent O(16)Li2Ni3 square pyramids, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 8-9°. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(5), and two equivalent Ni(8) atoms. In the eighth O site, O(8) is bonded to one Li(3), one Ni(1), and two equivalent Ni(9) atoms to form OLiNi3 trigonal pyramids that share  a cornercorner with one O(9)Li3CoNi2 octahedra, corners with two equivalent O(18)Li2Ni3 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(8)LiNi3 trigonal pyramids, edges with two equivalent O(13)Li3Ni3 octahedra, and edges with two equivalent O(17)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the ninth O site, O(9) is bonded to one Li(3), two equivalent Li(5), one Co(1), and two equivalent Ni(2) atoms to form OLi3CoNi2 octahedra that share  a cornercorner with one O(10)Li2CoNi2 square pyramid, corners with two equivalent O(6)Li2Ni3 square pyramids,  a cornercorner with one O(8)LiNi3 trigonal pyramid, edges with two equivalent O(9)Li3CoNi2 octahedra, edges with two equivalent O(13)Li3Ni3 octahedra,  an edgeedge with one O(6)Li2Ni3 square pyramid, edges with two equivalent O(18)Li2Ni3 square pyramids, and edges with two equivalent O(19)LiCo2Ni trigonal pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(1), one Co(1), and two equivalent Ni(3) atoms to form OLi2CoNi2 square pyramids that share  a cornercorner with one O(9)Li3CoNi2 octahedra, corners with two equivalent O(12)Li2Ni3 square pyramids, corners with two equivalent O(17)Li2Ni3 square pyramids,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(17)Li2Ni3 square pyramid, edges with two equivalent O(10)Li2CoNi2 square pyramids, and edges with two equivalent O(19)LiCo2Ni trigonal pyramids. The corner-sharing octahedral tilt angles are 1°. In the eleventh O site, O(11) is bonded to two equivalent Li(2), one Ni(7), and two equivalent Ni(4) atoms to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(4), one Ni(7), and two equivalent Ni(3) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(11)Li2Ni3 square pyramid, corners with two equivalent O(10)Li2CoNi2 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids, corners with two equivalent O(19)LiCo2Ni trigonal pyramids,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, and edges with two equivalent O(12)Li2Ni3 square pyramids. In the thirteenth O site, O(13) is bonded to one Li(5), two equivalent Li(3), one Ni(9), and two equivalent Ni(6) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(17)Li2Ni3 square pyramid, corners with two equivalent O(16)Li2Ni3 square pyramids, corners with two equivalent O(18)Li2Ni3 square pyramids,  a cornercorner with one O(19)LiCo2Ni trigonal pyramid, edges with two equivalent O(9)Li3CoNi2 octahedra, edges with two equivalent O(13)Li3Ni3 octahedra,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li2Ni3 square pyramid, edges with two equivalent O(6)Li2Ni3 square pyramids, and edges with two equivalent O(8)LiNi3 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(5) atoms. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(8), and two equivalent Ni(5) atoms. In the sixteenth O site, O(16) is bonded to two equivalent Li(2), one Ni(8), and two equivalent Ni(6) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(13)Li3Ni3 octahedra, corners with two equivalent O(11)Li2Ni3 square pyramids,  an edgeedge with one O(13)Li3Ni3 octahedra,  an edgeedge with one O(11)Li2Ni3 square pyramid, edges with two equivalent O(16)Li2Ni3 square pyramids, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the seventeenth O site, O(17) is bonded to two equivalent Li(1), one Ni(9), and two equivalent Ni(1) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(13)Li3Ni3 octahedra, corners with two equivalent O(10)Li2CoNi2 square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(10)Li2CoNi2 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, edges with two equivalent O(17)Li2Ni3 square pyramids, and edges with two equivalent O(8)LiNi3 trigonal pyramids. The corner-sharing octahedral tilt angles are 3°. In the eighteenth O site, O(18) is bonded to two equivalent Li(3), one Ni(2), and two equivalent Ni(4) atoms to form OLi2Ni3 square pyramids that share corners with two equivalent O(13)Li3Ni3 octahedra, corners with two equivalent O(11)Li2Ni3 square pyramids, corners with two equivalent O(8)LiNi3 trigonal pyramids,  an edgeedge with one O(13)Li3Ni3 octahedra, edges with two equivalent O(9)Li3CoNi2 octahedra,  an edgeedge with one O(11)Li2Ni3 square pyramid, and edges with two equivalent O(18)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 8-9°. In the nineteenth O site, O(19) is bonded to one Li(5), two equivalent Co(1), and one Ni(3) atom to form OLiCo2Ni trigonal pyramids that share  a cornercorner with one O(13)Li3Ni3 octahedra, corners with two equivalent O(12)Li2Ni3 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids, corners with two equivalent O(19)LiCo2Ni trigonal pyramids, edges with two equivalent O(9)Li3CoNi2 octahedra, and edges with two equivalent O(10)Li2CoNi2 square pyramids. The corner-sharing octahedral tilt angles are 12°. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Co(1), and one Ni(2) atom.