Li7(NiO2)12 crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Li(3)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(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the third Li site, Li(3) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Li(1)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(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)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,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-20°. In the fifth Li site, Li(5) is bonded to two equivalent O(11), two equivalent O(7), and two equivalent O(9) atoms to form distorted LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the third Ni site, Ni(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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 Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)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 8-14°. In the fourth Ni site, Ni(4) is bonded to one O(12), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)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 Li(5)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(11), one O(12), one O(3), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)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 Li(5)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)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 5-10°. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Ni(1), one Ni(4), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Ni(2), one Ni(3), and one Ni(5) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(3), and one Ni(4) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(1), one Ni(4), and one Ni(6) atom. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Ni(1), one Ni(4), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ni(2), one Ni(3), and one Ni(5) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the ninth O site, O(9) is bonded to one Li(2), one Li(5), one Ni(3), one Ni(4), and one Ni(5) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Ni(2), one Ni(3), and one Ni(5) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the eleventh O site, O(11) is bonded in a see-saw-like geometry to one Li(5), one Ni(2), one Ni(5), and one Ni(6) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Ni(4), one Ni(5), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids.
Li7(NiO2)12 crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Li(3)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(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. Both Li(1)-O(1) bond lengths are 2.06 Å. Both Li(1)-O(4) bond lengths are 2.19 Å. Both Li(1)-O(8) bond lengths are 2.24 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. The Li(2)-O(1) bond length is 2.05 Å. The Li(2)-O(2) bond length is 2.11 Å. The Li(2)-O(3) bond length is 2.20 Å. The Li(2)-O(7) bond length is 2.13 Å. The Li(2)-O(8) bond length is 2.01 Å. The Li(2)-O(9) bond length is 2.18 Å. In the third Li site, Li(3) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Li(1)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(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. Both Li(3)-O(10) bond lengths are 2.05 Å. Both Li(3)-O(12) bond lengths are 2.03 Å. Both Li(3)-O(4) bond lengths are 2.14 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)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,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  an edgeedge with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-20°. The Li(4)-O(10) bond length is 2.15 Å. The Li(4)-O(12) bond length is 2.38 Å. The Li(4)-O(2) bond length is 2.22 Å. The Li(4)-O(3) bond length is 2.20 Å. The Li(4)-O(5) bond length is 1.99 Å. The Li(4)-O(6) bond length is 1.95 Å. In the fifth Li site, Li(5) is bonded to two equivalent O(11), two equivalent O(7), and two equivalent O(9) atoms to form distorted LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. Both Li(5)-O(11) bond lengths are 2.03 Å. Both Li(5)-O(7) bond lengths are 2.09 Å. Both Li(5)-O(9) bond lengths are 2.23 Å. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. The Ni(1)-O(1) bond length is 1.87 Å. The Ni(1)-O(2) bond length is 1.92 Å. The Ni(1)-O(4) bond length is 1.93 Å. The Ni(1)-O(5) bond length is 2.00 Å. The Ni(1)-O(6) bond length is 1.89 Å. The Ni(1)-O(7) bond length is 2.03 Å. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. The Ni(2)-O(1) bond length is 2.10 Å. The Ni(2)-O(10) bond length is 2.07 Å. The Ni(2)-O(11) bond length is 1.90 Å. The Ni(2)-O(3) bond length is 1.94 Å. The Ni(2)-O(5) bond length is 1.89 Å. The Ni(2)-O(8) bond length is 1.89 Å. In the third Ni site, Ni(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(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 Li(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)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 8-14°. The Ni(3)-O(10) bond length is 1.91 Å. The Ni(3)-O(3) bond length is 1.92 Å. The Ni(3)-O(4) bond length is 1.91 Å. The Ni(3)-O(5) bond length is 1.88 Å. The Ni(3)-O(8) bond length is 2.06 Å. The Ni(3)-O(9) bond length is 2.06 Å. In the fourth Ni site, Ni(4) is bonded to one O(12), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)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 Li(5)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. The Ni(4)-O(12) bond length is 1.86 Å. The Ni(4)-O(2) bond length is 1.92 Å. The Ni(4)-O(4) bond length is 1.92 Å. The Ni(4)-O(6) bond length is 1.87 Å. The Ni(4)-O(7) bond length is 1.85 Å. The Ni(4)-O(9) bond length is 1.89 Å. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(11), one O(12), one O(3), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)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 Li(5)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)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 5-10°. The Ni(5)-O(10) bond length is 1.86 Å. The Ni(5)-O(11) bond length is 1.90 Å. The Ni(5)-O(12) bond length is 1.89 Å. The Ni(5)-O(3) bond length is 1.91 Å. The Ni(5)-O(8) bond length is 1.91 Å. The Ni(5)-O(9) bond length is 1.86 Å. In the sixth Ni site, Ni(6) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. The Ni(6)-O(1) bond length is 1.93 Å. The Ni(6)-O(11) bond length is 1.88 Å. The Ni(6)-O(12) bond length is 2.06 Å. The Ni(6)-O(2) bond length is 1.90 Å. The Ni(6)-O(6) bond length is 2.05 Å. The Ni(6)-O(7) bond length is 1.95 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), one Ni(2), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Ni(1), one Ni(4), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Ni(2), one Ni(3), and one Ni(5) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Ni(1), one Ni(3), and one Ni(4) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(1), one Ni(4), and one Ni(6) atom. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Ni(1), one Ni(4), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Ni(2), one Ni(3), and one Ni(5) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the ninth O site, O(9) is bonded to one Li(2), one Li(5), one Ni(3), one Ni(4), and one Ni(5) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Ni(2), one Ni(3), and one Ni(5) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids. In the eleventh O site, O(11) is bonded in a see-saw-like geometry to one Li(5), one Ni(2), one Ni(5), and one Ni(6) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Ni(4), one Ni(5), and one Ni(6) atom to form a mixture of corner and edge-sharing OLi2Ni3 square pyramids.