Li7(NiO2)9 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(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(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(5), one O(8), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)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 8-14°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the third Ni site, Ni(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(7), one O(9), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fifth Ni site, Ni(5) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(9) 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(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(4)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ni3 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Ni(2), one Ni(4), and one Ni(5) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(4)Li2Ni3 square pyramid, corners with two equivalent O(7)Li2Ni3 square pyramids, corners with three equivalent O(6)Li2Ni3 square pyramids, corners with three equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li3Ni3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra, corners with two equivalent O(9)Li3Ni3 octahedra,  a cornercorner with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, edges with two equivalent O(4)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ni3 square pyramids, and edges with three equivalent O(5)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(3)Li3Ni3 octahedra, corners with two equivalent O(1)Li3Ni3 octahedra,  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(3), and one Ni(5) atom to form OLi2Ni3 square pyramids that share corners with two equivalent O(9)Li3Ni3 octahedra,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with three equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid, and  an edgeedge with one O(6)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 3-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Ni(1), and two equivalent Ni(2) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids, corners with three equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and edges with two equivalent O(4)Li2Ni3 square pyramids. In the seventh O site, O(7) is bonded to two equivalent Li(4), one Ni(1), one Ni(4), and one Ni(5) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(1)Li3Ni3 octahedra,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 3-6°. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Ni(1), and two equivalent Ni(4) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with three equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(7)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the ninth O site, O(9) is bonded to one Li(4), two equivalent Li(3), one Ni(4), and two equivalent Ni(5) atoms to form OLi3Ni3 octahedra that share corners with two equivalent O(3)Li3Ni3 octahedra,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(5)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(7)Li2Ni3 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 5-7°.
Li7(NiO2)9 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. The Li(1)-O(1) bond length is 2.23 Å. The Li(1)-O(2) bond length is 2.17 Å. The Li(1)-O(3) bond length is 2.06 Å. The Li(1)-O(6) bond length is 2.03 Å. There is one shorter (2.00 Å) and one longer (2.07 Å) Li(1)-O(4) bond length. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(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(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. Both Li(2)-O(3) bond lengths are 2.24 Å. Both Li(2)-O(5) bond lengths are 1.99 Å. Both Li(2)-O(6) bond lengths are 2.11 Å. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(5), one O(8), and two equivalent O(9) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. The Li(3)-O(1) bond length is 2.08 Å. The Li(3)-O(3) bond length is 2.18 Å. The Li(3)-O(5) bond length is 1.97 Å. The Li(3)-O(8) bond length is 2.09 Å. There is one shorter (2.07 Å) and one longer (2.15 Å) Li(3)-O(9) bond length. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(7) atoms to form LiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. The Li(4)-O(1) bond length is 2.14 Å. The Li(4)-O(2) bond length is 2.21 Å. The Li(4)-O(8) bond length is 2.06 Å. The Li(4)-O(9) bond length is 2.18 Å. There is one shorter (1.99 Å) and one longer (2.04 Å) Li(4)-O(7) bond length. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)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 8-14°. The Ni(1)-O(1) bond length is 1.99 Å. The Ni(1)-O(3) bond length is 2.00 Å. The Ni(1)-O(4) bond length is 2.02 Å. The Ni(1)-O(6) bond length is 2.04 Å. The Ni(1)-O(7) bond length is 2.05 Å. The Ni(1)-O(8) bond length is 2.03 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. The Ni(2)-O(1) bond length is 1.91 Å. The Ni(2)-O(2) bond length is 1.90 Å. The Ni(2)-O(4) bond length is 1.85 Å. The Ni(2)-O(5) bond length is 1.84 Å. There is one shorter (1.86 Å) and one longer (1.90 Å) Ni(2)-O(6) bond length. In the third Ni site, Ni(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. Both Ni(3)-O(3) bond lengths are 1.89 Å. Both Ni(3)-O(4) bond lengths are 1.91 Å. Both Ni(3)-O(5) bond lengths are 2.06 Å. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), one O(7), one O(9), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. The Ni(4)-O(1) bond length is 1.90 Å. The Ni(4)-O(2) bond length is 1.89 Å. The Ni(4)-O(7) bond length is 1.86 Å. The Ni(4)-O(9) bond length is 1.89 Å. There is one shorter (1.86 Å) and one longer (1.90 Å) Ni(4)-O(8) bond length. In the fifth Ni site, Ni(5) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(9) 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(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. The Ni(5)-O(2) bond length is 1.90 Å. The Ni(5)-O(3) bond length is 1.87 Å. The Ni(5)-O(5) bond length is 2.04 Å. The Ni(5)-O(7) bond length is 1.91 Å. There is one shorter (1.88 Å) and one longer (2.10 Å) Ni(5)-O(9) bond length. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(3)Li3Ni3 octahedra,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(4)Li2Ni3 square pyramids, corners with two equivalent O(7)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ni3 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 3°. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Ni(2), one Ni(4), and one Ni(5) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(4)Li2Ni3 square pyramid, corners with two equivalent O(7)Li2Ni3 square pyramids, corners with three equivalent O(6)Li2Ni3 square pyramids, corners with three equivalent O(8)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(3), and one Ni(5) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(1)Li3Ni3 octahedra, corners with two equivalent O(3)Li3Ni3 octahedra, corners with two equivalent O(9)Li3Ni3 octahedra,  a cornercorner with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li2Ni3 square pyramid, edges with two equivalent O(4)Li2Ni3 square pyramids, edges with two equivalent O(6)Li2Ni3 square pyramids, and edges with three equivalent O(5)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(3)Li3Ni3 octahedra, corners with two equivalent O(1)Li3Ni3 octahedra,  a cornercorner with one O(2)Li2Ni3 square pyramid,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid,  an edgeedge with one O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(3), and one Ni(5) atom to form OLi2Ni3 square pyramids that share corners with two equivalent O(9)Li3Ni3 octahedra,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with three equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li2Ni3 square pyramid, and  an edgeedge with one O(6)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 3-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Ni(1), and two equivalent Ni(2) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids, corners with three equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and edges with two equivalent O(4)Li2Ni3 square pyramids. In the seventh O site, O(7) is bonded to two equivalent Li(4), one Ni(1), one Ni(4), and one Ni(5) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(1)Li3Ni3 octahedra,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(2)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 3-6°. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Ni(1), and two equivalent Ni(4) atoms to form OLi2Ni3 square pyramids that share  a cornercorner with one O(1)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra,  a cornercorner with one O(4)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with three equivalent O(2)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(8)Li2Ni3 square pyramid, and edges with two equivalent O(7)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the ninth O site, O(9) is bonded to one Li(4), two equivalent Li(3), one Ni(4), and two equivalent Ni(5) atoms to form OLi3Ni3 octahedra that share corners with two equivalent O(3)Li3Ni3 octahedra,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(8)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(1)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(5)Li2Ni3 square pyramid, edges with two equivalent O(2)Li2Ni3 square pyramids, edges with two equivalent O(7)Li2Ni3 square pyramids, and edges with two equivalent O(8)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 5-7°.