The structure described by Li12Ni11O28 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(27), one O(28), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(11)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(12)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(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Ni(11)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)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(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the third Li site, Li(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 LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)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(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)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, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the fifth Li site, Li(5) is bonded to one O(11), one O(13), one O(15), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)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,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(13), one O(14), one O(16), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(8)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 Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the seventh Li site, Li(7) is bonded to one O(11), one O(12), one O(14), one O(15), one O(17), and one O(18) atom to form LiO6 octahedra that share  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Li(9)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the eighth Li site, Li(8) is bonded to one O(13), one O(15), one O(16), one O(18), one O(19), and one O(20) atom to form LiO6 octahedra that share  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Ni(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the ninth Li site, Li(9) is bonded to one O(17), one O(18), one O(19), one O(21), one O(23), and one O(24) atom to form LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra, corners with two equivalent Li(12)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the tenth Li site, Li(10) is bonded to one O(19), one O(20), one O(21), one O(24), one O(25), and one O(26) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(10)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the eleventh Li site, Li(11) is bonded to one O(21), one O(22), one O(23), one O(25), one O(27), and one O(28) atom to form LiO6 octahedra that share  a cornercorner with one Ni(11)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, and edges with two equivalent Ni(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the twelfth Li site, Li(12) is bonded to one O(1), one O(2), one O(23), one O(24), one O(26), and one O(28) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(10)O6 octahedra, corners with two equivalent Li(9)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, and edges with two equivalent Ni(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are eleven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(25), one O(26), one O(28), one O(3), and one O(4) atom to form NiO6 octahedra that share  a cornercorner with one Li(12)O6 octahedra, corners with two equivalent Li(10)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), 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(12)O6 octahedra,  an edgeedge with one Li(1)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(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the third Ni site, Ni(3) is bonded to one O(10), one O(3), 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(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one 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(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(7)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(5)O6 octahedra,  an edgeedge with one Li(6)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,  an edgeedge with one Ni(6)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the sixth Ni site, Ni(6) is bonded to one O(11), one O(12), one O(13), one O(16), one O(17), and one O(18) atom to form NiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the seventh Ni site, Ni(7) is bonded to one O(13), one O(14), one O(15), one O(17), one O(19), and one O(20) atom to form NiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the eighth Ni site, Ni(8) is bonded to one O(14), one O(16), one O(18), one O(20), one O(21), and one O(22) atom to form NiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(11)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the ninth Ni site, Ni(9) is bonded to one O(19), one O(20), one O(22), one O(23), one O(25), and one O(26) atom to form NiO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Li(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the tenth Ni site, Ni(10) is bonded to one O(21), one O(22), one O(24), one O(26), one O(27), and one O(28) atom to form NiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, and edges with two equivalent Li(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the eleventh Ni site, Ni(11) is bonded to one O(1), one O(2), one O(23), one O(24), one O(25), and one O(27) atom to form NiO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, and edges with two equivalent Li(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(12), one Li(2), one Ni(1), one Ni(11), and one Ni(2) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(5)Li3Ni2 square pyramid,  a cornercorner with one O(6)Li3Ni2 square pyramid, corners with two equivalent O(24)Li3Ni2 square pyramids, corners with two equivalent O(28)Li3Ni2 square pyramids, corners with two equivalent O(8)Li3Ni2 square pyramids,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid, and edges with two equivalent O(2)Li3Ni2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(12), one Li(2), one Ni(11), and one Ni(2) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(25)Li2Ni3 square pyramid,  a cornercorner with one O(26)Li2Ni3 square pyramid, corners with two equivalent O(23)Li3Ni2 square pyramids, corners with two equivalent O(4)Li3Ni2 square pyramids, corners with two equivalent O(7)Li3Ni2 square pyramids,  an edgeedge with one O(24)Li3Ni2 square pyramid,  an edgeedge with one O(28)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid,  an edgeedge with one O(8)Li3Ni2 square pyramid, and edges with two equivalent O(1)Li2Ni3 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), and one Ni(3) atom to form OLi3Ni2 square pyramids that share corners with two equivalent O(9)Li4Ni2 octahedra,  a cornercorner with one O(25)Li2Ni3 square pyramid,  a cornercorner with one O(26)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li3Ni2 square pyramid, corners with two equivalent O(2)Li3Ni2 square pyramids,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(28)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid, and  an edgeedge with one O(8)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Ni(2), and one Ni(4) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(28)Li3Ni2 square pyramid,  a cornercorner with one O(6)Li3Ni2 square pyramid,  a cornercorner with one O(8)Li3Ni2 square pyramid, corners with two equivalent O(12)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3Ni2 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid, and  an edgeedge with one O(8)Li3Ni2 square pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Ni(3), and one Ni(4) atom to form OLi3Ni2 square pyramids that share corners with two equivalent O(11)Li4Ni2 octahedra,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(28)Li3Ni2 square pyramid,  a cornercorner with one O(4)Li3Ni2 square pyramid,  a cornercorner with one O(5)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3Ni2 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid, and  an edgeedge with one O(8)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 6-8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Li(5), one Ni(2), and one Ni(3) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(9)Li4Ni2 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(12)Li2Ni3 square pyramid,  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(15)Li3Ni2 square pyramid,  a cornercorner with one O(6)Li3Ni2 square pyramid,  a cornercorner with one O(8)Li3Ni2 square pyramid, corners with two equivalent O(2)Li3Ni2 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid, and  an edgeedge with one O(8)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles are 1°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(5), one Ni(2), and one Ni(4) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(12)Li2Ni3 square pyramid,  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(15)Li3Ni2 square pyramid,  a cornercorner with one O(5)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid, corners with two equivalent O(1)Li2Ni3 square pyramids, corners with two equivalent O(10)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(2)Li3Ni2 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid, and  an edgeedge with one O(7)Li3Ni2 square pyramid. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Ni(3), and one Ni(5) atom to form OLi4Ni2 octahedra that share  a cornercorner with one O(11)Li4Ni2 octahedra,  a cornercorner with one O(7)Li3Ni2 square pyramid, corners with two equivalent O(16)Li2Ni3 square pyramids, corners with two equivalent O(4)Li3Ni2 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid,  an edgeedge with one O(8)Li3Ni2 square pyramid, and edges with two equivalent O(10)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the tenth O site, O(10) is bonded to one Li(3), one Li(6), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(15)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid, corners with two equivalent O(14)Li2Ni3 square pyramids, corners with two equivalent O(8)Li3Ni2 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra, edges with two equivalent O(9)Li4Ni2 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid, and  an edgeedge with one O(6)Li3Ni2 square pyramid. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Li(7), one Ni(4), and one Ni(6) atom to form OLi4Ni2 octahedra that share  a cornercorner with one O(9)Li4Ni2 octahedra,  a cornercorner with one O(13)Li3Ni2 square pyramid, corners with two equivalent O(18)Li3Ni2 square pyramids, corners with two equivalent O(6)Li3Ni2 square pyramids,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid,  an edgeedge with one O(8)Li3Ni2 square pyramid, and edges with two equivalent O(12)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the twelfth O site, O(12) is bonded to one Li(4), one Li(7), one Ni(4), one Ni(5), and one Ni(6) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid,  a cornercorner with one O(8)Li3Ni2 square pyramid, corners with two equivalent O(15)Li3Ni2 square pyramids, corners with two equivalent O(5)Li3Ni2 square pyramids,  an edgeedge with one O(9)Li4Ni2 octahedra, edges with two equivalent O(11)Li4Ni2 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li3Ni2 square pyramid, and  an edgeedge with one O(6)Li3Ni2 square pyramid. In the thirteenth O site, O(13) is bonded to one Li(5), one Li(6), one Li(8), one Ni(6), and one Ni(7) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(11)Li4Ni2 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(12)Li2Ni3 square pyramid,  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid,  a cornercorner with one O(8)Li3Ni2 square pyramid, corners with two equivalent O(20)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid,  an edgeedge with one O(18)Li3Ni2 square pyramid, and  an edgeedge with one O(19)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the fourteenth O site, O(14) is bonded to one Li(6), one Li(7), one Ni(5), one Ni(7), and one Ni(8) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li3Ni2 square pyramid,  a cornercorner with one O(19)Li3Ni2 square pyramid,  a cornercorner with one O(21)Li3Ni2 square pyramid, corners with two equivalent O(10)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid, and  an edgeedge with one O(18)Li3Ni2 square pyramid. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(7), one Li(8), one Ni(5), and one Ni(7) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid,  a cornercorner with one O(8)Li3Ni2 square pyramid, corners with two equivalent O(12)Li2Ni3 square pyramids, corners with two equivalent O(19)Li3Ni2 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid, and  an edgeedge with one O(18)Li3Ni2 square pyramid. In the sixteenth O site, O(16) is bonded to one Li(6), one Li(8), one Ni(5), one Ni(6), and one Ni(8) atom to form OLi2Ni3 square pyramids that share corners with two equivalent O(9)Li4Ni2 octahedra,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(18)Li3Ni2 square pyramid,  a cornercorner with one O(19)Li3Ni2 square pyramid,  a cornercorner with one O(21)Li3Ni2 square pyramid,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid, and  an edgeedge with one O(18)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles are 5°. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(7), one Li(9), one Ni(6), and one Ni(7) atom. In the eighteenth O site, O(18) is bonded to one Li(7), one Li(8), one Li(9), one Ni(6), and one Ni(8) atom to form OLi3Ni2 square pyramids that share corners with two equivalent O(11)Li4Ni2 octahedra,  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(23)Li3Ni2 square pyramid,  a cornercorner with one O(24)Li3Ni2 square pyramid, corners with two equivalent O(20)Li2Ni3 square pyramids,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid,  an edgeedge with one O(19)Li3Ni2 square pyramid, and  an edgeedge with one O(21)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 7-8°. In the nineteenth O site, O(19) is bonded to one Li(10), one Li(8), one Li(9), one Ni(7), and one Ni(9) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(16)Li2Ni3 square pyramid, corners with two equivalent O(26)Li2Ni3 square pyramids, corners with two equivalent O(15)Li3Ni2 square pyramids, corners with two equivalent O(21)Li3Ni2 square pyramids,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(18)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid,  an edgeedge with one O(24)Li3Ni2 square pyramid, and edges with two equivalent O(20)Li2Ni3 square pyramids. In the twentieth O site, O(20) is bonded to one Li(10), one Li(8), one Ni(7), one Ni(8), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(23)Li3Ni2 square pyramid,  a cornercorner with one O(24)Li3Ni2 square pyramid, corners with two equivalent O(25)Li2Ni3 square pyramids, corners with two equivalent O(13)Li3Ni2 square pyramids, corners with two equivalent O(18)Li3Ni2 square pyramids,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid,  an edgeedge with one O(21)Li3Ni2 square pyramid, and edges with two equivalent O(19)Li3Ni2 square pyramids. In the twenty-first O site, O(21) is bonded to one Li(10), one Li(11), one Li(9), one Ni(10), and one Ni(8) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(24)Li3Ni2 square pyramid, corners with two equivalent O(19)Li3Ni2 square pyramids, corners with two equivalent O(28)Li3Ni2 square pyramids,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid, and  an edgeedge with one O(24)Li3Ni2 square pyramid. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Li(11), one Ni(10), one Ni(8), and one Ni(9) atom. In the twenty-third O site, O(23) is bonded to one Li(11), one Li(12), one Li(9), one Ni(11), and one Ni(9) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(20)Li2Ni3 square pyramid,  a cornercorner with one O(25)Li2Ni3 square pyramid,  a cornercorner with one O(18)Li3Ni2 square pyramid,  a cornercorner with one O(24)Li3Ni2 square pyramid, corners with two equivalent O(2)Li3Ni2 square pyramids,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li3Ni2 square pyramid,  an edgeedge with one O(21)Li3Ni2 square pyramid,  an edgeedge with one O(24)Li3Ni2 square pyramid, and  an edgeedge with one O(28)Li3Ni2 square pyramid. In the twenty-fourth O site, O(24) is bonded to one Li(10), one Li(12), one Li(9), one Ni(10), and one Ni(11) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(20)Li2Ni3 square pyramid,  a cornercorner with one O(26)Li2Ni3 square pyramid,  a cornercorner with one O(18)Li3Ni2 square pyramid,  a cornercorner with one O(21)Li3Ni2 square pyramid,  a cornercorner with one O(23)Li3Ni2 square pyramid, corners with two equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li3Ni2 square pyramid,  an edgeedge with one O(2)Li3Ni2 square pyramid,  an edgeedge with one O(21)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid, and  an edgeedge with one O(28)Li3Ni2 square pyramid. In the twenty-fifth O site, O(25) is bonded to one Li(10), one Li(11), one Ni(1), one Ni(11), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(26)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li3Ni2 square pyramid,  a cornercorner with one O(23)Li3Ni2 square pyramid,  a cornercorner with one O(4)Li3Ni2 square pyramid, corners with two equivalent O(20)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li3Ni2 square pyramid,  an edgeedge with one O(21)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid,  an edgeedge with one O(24)Li3Ni2 square pyramid, and  an edgeedge with one O(28)Li3Ni2 square pyramid. In the twenty-sixth O site, O(26) is bonded to one Li(10), one Li(12), one Ni(1), one Ni(10), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(25)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li3Ni2 square pyramid,  a cornercorner with one O(24)Li3Ni2 square pyramid,  a cornercorner with one O(28)Li3Ni2 square pyramid,  a cornercorner with one O(4)Li3Ni2 square pyramid, corners with two equivalent O(19)Li3Ni2 square pyramids,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(21)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid,  an edgeedge with one O(24)Li3Ni2 square pyramid, and  an edgeedge with one O(28)Li3Ni2 square pyramid. In the twenty-seventh O site, O(27) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(11), one Ni(10), and one Ni(11) atom. In the twenty-eighth O site, O(28) is bonded to one Li(1), one Li(11), one Li(12), one Ni(1), and one Ni(10) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(26)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li3Ni2 square pyramid,  a cornercorner with one O(6)Li3Ni2 square pyramid, corners with two equivalent O(1)Li2Ni3 square pyramids, corners with two equivalent O(21)Li3Ni2 square pyramids,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid,  an edgeedge with one O(24)Li3Ni2 square pyramid, and  an edgeedge with one O(4)Li3Ni2 square pyramid. is represented by the CIF file [CIF]
data_Li12Ni11O28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   6.413
_cell_length_c   12.914
_cell_angle_alpha   84.192
_cell_angle_beta   83.767
_cell_angle_gamma   74.293
_symmetry_Int_Tables_number   1
_cell_volume   460.731
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.360  0.649  0.929  1.0
  Li  Li1  1  0.210  0.292  0.857  1.0
  Li  Li2  1  0.567  0.928  0.793  1.0
  Li  Li3  1  0.937  0.561  0.718  1.0
  Li  Li4  1  0.788  0.215  0.643  1.0
  Li  Li5  1  0.646  0.864  0.572  1.0
  Li  Li6  1  0.999  0.489  0.500  1.0
  Li  Li7  1  0.360  0.153  0.426  1.0
  Li  Li8  1  0.579  0.436  0.286  1.0
  Li  Li9  1  0.430  0.077  0.215  1.0
  Li  Li10  1  0.786  0.701  0.147  1.0
  Li  Li11  1  0.145  0.366  0.067  1.0
  Ni  Ni12  1  0.996  0.994  0.999  1.0
  Ni  Ni13  1  0.710  0.290  0.858  1.0
  Ni  Ni14  1  0.069  0.930  0.785  1.0
  Ni  Ni15  1  0.431  0.568  0.714  1.0
  Ni  Ni16  1  0.145  0.861  0.572  1.0
  Ni  Ni17  1  0.505  0.498  0.501  1.0
  Ni  Ni18  1  0.857  0.144  0.427  1.0
  Ni  Ni19  1  0.216  0.780  0.357  1.0
  Ni  Ni20  1  0.925  0.074  0.215  1.0
  Ni  Ni21  1  0.284  0.711  0.143  1.0
  Ni  Ni22  1  0.638  0.358  0.070  1.0
  O  O23  1  0.902  0.297  0.966  1.0
  O  O24  1  0.459  0.329  0.964  1.0
  O  O25  1  0.812  0.983  0.888  1.0
  O  O26  1  0.239  0.964  0.892  1.0
  O  O27  1  0.630  0.584  0.812  1.0
  O  O28  1  0.166  0.624  0.809  1.0
  O  O29  1  0.975  0.234  0.761  1.0
  O  O30  1  0.510  0.274  0.759  1.0
  O  O31  1  0.891  0.893  0.675  1.0
  O  O32  1  0.335  0.873  0.681  1.0
  O  O33  1  0.685  0.537  0.607  1.0
  O  O34  1  0.241  0.558  0.605  1.0
  O  O35  1  0.593  0.195  0.522  1.0
  O  O36  1  0.961  0.836  0.467  1.0
  O  O37  1  0.061  0.154  0.526  1.0
  O  O38  1  0.403  0.804  0.468  1.0
  O  O39  1  0.770  0.440  0.407  1.0
  O  O40  1  0.302  0.488  0.402  1.0
  O  O41  1  0.678  0.114  0.320  1.0
  O  O42  1  0.120  0.084  0.322  1.0
  O  O43  1  0.456  0.752  0.249  1.0
  O  O44  1  0.027  0.769  0.249  1.0
  O  O45  1  0.844  0.367  0.170  1.0
  O  O46  1  0.374  0.410  0.165  1.0
  O  O47  1  0.741  0.050  0.109  1.0
  O  O48  1  0.180  0.017  0.108  1.0
  O  O49  1  0.553  0.655  0.050  1.0
  O  O50  1  0.082  0.701  0.043  1.0
[/CIF]
.
The structure described by Li12Ni11O28 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(27), one O(28), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(11)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(12)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(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Ni(11)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)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(4)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the third Li site, Li(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 LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)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(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ni(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)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, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the fifth Li site, Li(5) is bonded to one O(11), one O(13), one O(15), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)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,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(13), one O(14), one O(16), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(8)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 Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the seventh Li site, Li(7) is bonded to one O(11), one O(12), one O(14), one O(15), one O(17), and one O(18) atom to form LiO6 octahedra that share  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Li(9)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. In the eighth Li site, Li(8) is bonded to one O(13), one O(15), one O(16), one O(18), one O(19), and one O(20) atom to form LiO6 octahedra that share  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Ni(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the ninth Li site, Li(9) is bonded to one O(17), one O(18), one O(19), one O(21), one O(23), and one O(24) atom to form LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra, corners with two equivalent Li(12)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the tenth Li site, Li(10) is bonded to one O(19), one O(20), one O(21), one O(24), one O(25), and one O(26) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Ni(10)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the eleventh Li site, Li(11) is bonded to one O(21), one O(22), one O(23), one O(25), one O(27), and one O(28) atom to form LiO6 octahedra that share  a cornercorner with one Ni(11)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, and edges with two equivalent Ni(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the twelfth Li site, Li(12) is bonded to one O(1), one O(2), one O(23), one O(24), one O(26), and one O(28) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(10)O6 octahedra, corners with two equivalent Li(9)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, and edges with two equivalent Ni(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are eleven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(25), one O(26), one O(28), one O(3), and one O(4) atom to form NiO6 octahedra that share  a cornercorner with one Li(12)O6 octahedra, corners with two equivalent Li(10)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), 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(12)O6 octahedra,  an edgeedge with one Li(1)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(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the third Ni site, Ni(3) is bonded to one O(10), one O(3), 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(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one 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(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(7)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(5)O6 octahedra,  an edgeedge with one Li(6)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,  an edgeedge with one Ni(6)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the sixth Ni site, Ni(6) is bonded to one O(11), one O(12), one O(13), one O(16), one O(17), and one O(18) atom to form NiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the seventh Ni site, Ni(7) is bonded to one O(13), one O(14), one O(15), one O(17), one O(19), and one O(20) atom to form NiO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the eighth Ni site, Ni(8) is bonded to one O(14), one O(16), one O(18), one O(20), one O(21), and one O(22) atom to form NiO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(11)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the ninth Ni site, Ni(9) is bonded to one O(19), one O(20), one O(22), one O(23), one O(25), and one O(26) atom to form NiO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra, corners with two equivalent Li(8)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and edges with two equivalent Li(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the tenth Ni site, Ni(10) is bonded to one O(21), one O(22), one O(24), one O(26), one O(27), and one O(28) atom to form NiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(12)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(11)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, and edges with two equivalent Li(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the eleventh Ni site, Ni(11) is bonded to one O(1), one O(2), one O(23), one O(24), one O(25), and one O(27) atom to form NiO6 octahedra that share  a cornercorner with one Li(11)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(9)O6 octahedra, and edges with two equivalent Li(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(12), one Li(2), one Ni(1), one Ni(11), and one Ni(2) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(5)Li3Ni2 square pyramid,  a cornercorner with one O(6)Li3Ni2 square pyramid, corners with two equivalent O(24)Li3Ni2 square pyramids, corners with two equivalent O(28)Li3Ni2 square pyramids, corners with two equivalent O(8)Li3Ni2 square pyramids,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid, and edges with two equivalent O(2)Li3Ni2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(12), one Li(2), one Ni(11), and one Ni(2) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(25)Li2Ni3 square pyramid,  a cornercorner with one O(26)Li2Ni3 square pyramid, corners with two equivalent O(23)Li3Ni2 square pyramids, corners with two equivalent O(4)Li3Ni2 square pyramids, corners with two equivalent O(7)Li3Ni2 square pyramids,  an edgeedge with one O(24)Li3Ni2 square pyramid,  an edgeedge with one O(28)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid,  an edgeedge with one O(8)Li3Ni2 square pyramid, and edges with two equivalent O(1)Li2Ni3 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), and one Ni(3) atom to form OLi3Ni2 square pyramids that share corners with two equivalent O(9)Li4Ni2 octahedra,  a cornercorner with one O(25)Li2Ni3 square pyramid,  a cornercorner with one O(26)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li3Ni2 square pyramid, corners with two equivalent O(2)Li3Ni2 square pyramids,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(28)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid, and  an edgeedge with one O(8)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Ni(2), and one Ni(4) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(28)Li3Ni2 square pyramid,  a cornercorner with one O(6)Li3Ni2 square pyramid,  a cornercorner with one O(8)Li3Ni2 square pyramid, corners with two equivalent O(12)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3Ni2 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid, and  an edgeedge with one O(8)Li3Ni2 square pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Ni(3), and one Ni(4) atom to form OLi3Ni2 square pyramids that share corners with two equivalent O(11)Li4Ni2 octahedra,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(28)Li3Ni2 square pyramid,  a cornercorner with one O(4)Li3Ni2 square pyramid,  a cornercorner with one O(5)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3Ni2 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid, and  an edgeedge with one O(8)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 6-8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Li(5), one Ni(2), and one Ni(3) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(9)Li4Ni2 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(12)Li2Ni3 square pyramid,  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(15)Li3Ni2 square pyramid,  a cornercorner with one O(6)Li3Ni2 square pyramid,  a cornercorner with one O(8)Li3Ni2 square pyramid, corners with two equivalent O(2)Li3Ni2 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid, and  an edgeedge with one O(8)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles are 1°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(5), one Ni(2), and one Ni(4) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(12)Li2Ni3 square pyramid,  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(15)Li3Ni2 square pyramid,  a cornercorner with one O(5)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid, corners with two equivalent O(1)Li2Ni3 square pyramids, corners with two equivalent O(10)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(2)Li3Ni2 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid, and  an edgeedge with one O(7)Li3Ni2 square pyramid. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), one Ni(3), and one Ni(5) atom to form OLi4Ni2 octahedra that share  a cornercorner with one O(11)Li4Ni2 octahedra,  a cornercorner with one O(7)Li3Ni2 square pyramid, corners with two equivalent O(16)Li2Ni3 square pyramids, corners with two equivalent O(4)Li3Ni2 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(6)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid,  an edgeedge with one O(8)Li3Ni2 square pyramid, and edges with two equivalent O(10)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the tenth O site, O(10) is bonded to one Li(3), one Li(6), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(15)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid, corners with two equivalent O(14)Li2Ni3 square pyramids, corners with two equivalent O(8)Li3Ni2 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra, edges with two equivalent O(9)Li4Ni2 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid, and  an edgeedge with one O(6)Li3Ni2 square pyramid. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Li(6), one Li(7), one Ni(4), and one Ni(6) atom to form OLi4Ni2 octahedra that share  a cornercorner with one O(9)Li4Ni2 octahedra,  a cornercorner with one O(13)Li3Ni2 square pyramid, corners with two equivalent O(18)Li3Ni2 square pyramids, corners with two equivalent O(6)Li3Ni2 square pyramids,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid,  an edgeedge with one O(5)Li3Ni2 square pyramid,  an edgeedge with one O(7)Li3Ni2 square pyramid,  an edgeedge with one O(8)Li3Ni2 square pyramid, and edges with two equivalent O(12)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the twelfth O site, O(12) is bonded to one Li(4), one Li(7), one Ni(4), one Ni(5), and one Ni(6) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid,  a cornercorner with one O(8)Li3Ni2 square pyramid, corners with two equivalent O(15)Li3Ni2 square pyramids, corners with two equivalent O(5)Li3Ni2 square pyramids,  an edgeedge with one O(9)Li4Ni2 octahedra, edges with two equivalent O(11)Li4Ni2 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li3Ni2 square pyramid, and  an edgeedge with one O(6)Li3Ni2 square pyramid. In the thirteenth O site, O(13) is bonded to one Li(5), one Li(6), one Li(8), one Ni(6), and one Ni(7) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(11)Li4Ni2 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(12)Li2Ni3 square pyramid,  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid,  a cornercorner with one O(8)Li3Ni2 square pyramid, corners with two equivalent O(20)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid,  an edgeedge with one O(18)Li3Ni2 square pyramid, and  an edgeedge with one O(19)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the fourteenth O site, O(14) is bonded to one Li(6), one Li(7), one Ni(5), one Ni(7), and one Ni(8) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li3Ni2 square pyramid,  a cornercorner with one O(19)Li3Ni2 square pyramid,  a cornercorner with one O(21)Li3Ni2 square pyramid, corners with two equivalent O(10)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid, and  an edgeedge with one O(18)Li3Ni2 square pyramid. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(7), one Li(8), one Ni(5), and one Ni(7) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(7)Li3Ni2 square pyramid,  a cornercorner with one O(8)Li3Ni2 square pyramid, corners with two equivalent O(12)Li2Ni3 square pyramids, corners with two equivalent O(19)Li3Ni2 square pyramids,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(9)Li4Ni2 octahedra,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid, and  an edgeedge with one O(18)Li3Ni2 square pyramid. In the sixteenth O site, O(16) is bonded to one Li(6), one Li(8), one Ni(5), one Ni(6), and one Ni(8) atom to form OLi2Ni3 square pyramids that share corners with two equivalent O(9)Li4Ni2 octahedra,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(13)Li3Ni2 square pyramid,  a cornercorner with one O(18)Li3Ni2 square pyramid,  a cornercorner with one O(19)Li3Ni2 square pyramid,  a cornercorner with one O(21)Li3Ni2 square pyramid,  an edgeedge with one O(11)Li4Ni2 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid, and  an edgeedge with one O(18)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles are 5°. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(7), one Li(9), one Ni(6), and one Ni(7) atom. In the eighteenth O site, O(18) is bonded to one Li(7), one Li(8), one Li(9), one Ni(6), and one Ni(8) atom to form OLi3Ni2 square pyramids that share corners with two equivalent O(11)Li4Ni2 octahedra,  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(23)Li3Ni2 square pyramid,  a cornercorner with one O(24)Li3Ni2 square pyramid, corners with two equivalent O(20)Li2Ni3 square pyramids,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid,  an edgeedge with one O(19)Li3Ni2 square pyramid, and  an edgeedge with one O(21)Li3Ni2 square pyramid. The corner-sharing octahedral tilt angles range from 7-8°. In the nineteenth O site, O(19) is bonded to one Li(10), one Li(8), one Li(9), one Ni(7), and one Ni(9) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(16)Li2Ni3 square pyramid, corners with two equivalent O(26)Li2Ni3 square pyramids, corners with two equivalent O(15)Li3Ni2 square pyramids, corners with two equivalent O(21)Li3Ni2 square pyramids,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li3Ni2 square pyramid,  an edgeedge with one O(18)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid,  an edgeedge with one O(24)Li3Ni2 square pyramid, and edges with two equivalent O(20)Li2Ni3 square pyramids. In the twentieth O site, O(20) is bonded to one Li(10), one Li(8), one Ni(7), one Ni(8), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(23)Li3Ni2 square pyramid,  a cornercorner with one O(24)Li3Ni2 square pyramid, corners with two equivalent O(25)Li2Ni3 square pyramids, corners with two equivalent O(13)Li3Ni2 square pyramids, corners with two equivalent O(18)Li3Ni2 square pyramids,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(16)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li3Ni2 square pyramid,  an edgeedge with one O(21)Li3Ni2 square pyramid, and edges with two equivalent O(19)Li3Ni2 square pyramids. In the twenty-first O site, O(21) is bonded to one Li(10), one Li(11), one Li(9), one Ni(10), and one Ni(8) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(16)Li2Ni3 square pyramid,  a cornercorner with one O(24)Li3Ni2 square pyramid, corners with two equivalent O(19)Li3Ni2 square pyramids, corners with two equivalent O(28)Li3Ni2 square pyramids,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(18)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid, and  an edgeedge with one O(24)Li3Ni2 square pyramid. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Li(11), one Ni(10), one Ni(8), and one Ni(9) atom. In the twenty-third O site, O(23) is bonded to one Li(11), one Li(12), one Li(9), one Ni(11), and one Ni(9) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(20)Li2Ni3 square pyramid,  a cornercorner with one O(25)Li2Ni3 square pyramid,  a cornercorner with one O(18)Li3Ni2 square pyramid,  a cornercorner with one O(24)Li3Ni2 square pyramid, corners with two equivalent O(2)Li3Ni2 square pyramids,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li3Ni2 square pyramid,  an edgeedge with one O(21)Li3Ni2 square pyramid,  an edgeedge with one O(24)Li3Ni2 square pyramid, and  an edgeedge with one O(28)Li3Ni2 square pyramid. In the twenty-fourth O site, O(24) is bonded to one Li(10), one Li(12), one Li(9), one Ni(10), and one Ni(11) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(20)Li2Ni3 square pyramid,  a cornercorner with one O(26)Li2Ni3 square pyramid,  a cornercorner with one O(18)Li3Ni2 square pyramid,  a cornercorner with one O(21)Li3Ni2 square pyramid,  a cornercorner with one O(23)Li3Ni2 square pyramid, corners with two equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li3Ni2 square pyramid,  an edgeedge with one O(2)Li3Ni2 square pyramid,  an edgeedge with one O(21)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid, and  an edgeedge with one O(28)Li3Ni2 square pyramid. In the twenty-fifth O site, O(25) is bonded to one Li(10), one Li(11), one Ni(1), one Ni(11), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(26)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li3Ni2 square pyramid,  a cornercorner with one O(23)Li3Ni2 square pyramid,  a cornercorner with one O(4)Li3Ni2 square pyramid, corners with two equivalent O(20)Li2Ni3 square pyramids,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li3Ni2 square pyramid,  an edgeedge with one O(21)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid,  an edgeedge with one O(24)Li3Ni2 square pyramid, and  an edgeedge with one O(28)Li3Ni2 square pyramid. In the twenty-sixth O site, O(26) is bonded to one Li(10), one Li(12), one Ni(1), one Ni(10), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(25)Li2Ni3 square pyramid,  a cornercorner with one O(2)Li3Ni2 square pyramid,  a cornercorner with one O(24)Li3Ni2 square pyramid,  a cornercorner with one O(28)Li3Ni2 square pyramid,  a cornercorner with one O(4)Li3Ni2 square pyramid, corners with two equivalent O(19)Li3Ni2 square pyramids,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(21)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid,  an edgeedge with one O(24)Li3Ni2 square pyramid, and  an edgeedge with one O(28)Li3Ni2 square pyramid. In the twenty-seventh O site, O(27) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(11), one Ni(10), and one Ni(11) atom. In the twenty-eighth O site, O(28) is bonded to one Li(1), one Li(11), one Li(12), one Ni(1), and one Ni(10) atom to form OLi3Ni2 square pyramids that share  a cornercorner with one O(26)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li3Ni2 square pyramid,  a cornercorner with one O(6)Li3Ni2 square pyramid, corners with two equivalent O(1)Li2Ni3 square pyramids, corners with two equivalent O(21)Li3Ni2 square pyramids,  an edgeedge with one O(25)Li2Ni3 square pyramid,  an edgeedge with one O(26)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3Ni2 square pyramid,  an edgeedge with one O(23)Li3Ni2 square pyramid,  an edgeedge with one O(24)Li3Ni2 square pyramid, and  an edgeedge with one O(4)Li3Ni2 square pyramid. is represented by the CIF file [CIF]
data_Li12Ni11O28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   6.413
_cell_length_c   12.914
_cell_angle_alpha   84.192
_cell_angle_beta   83.767
_cell_angle_gamma   74.293
_symmetry_Int_Tables_number   1
_cell_volume   460.731
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.360  0.649  0.929  1.0
  Li  Li1  1  0.210  0.292  0.857  1.0
  Li  Li2  1  0.567  0.928  0.793  1.0
  Li  Li3  1  0.937  0.561  0.718  1.0
  Li  Li4  1  0.788  0.215  0.643  1.0
  Li  Li5  1  0.646  0.864  0.572  1.0
  Li  Li6  1  0.999  0.489  0.500  1.0
  Li  Li7  1  0.360  0.153  0.426  1.0
  Li  Li8  1  0.579  0.436  0.286  1.0
  Li  Li9  1  0.430  0.077  0.215  1.0
  Li  Li10  1  0.786  0.701  0.147  1.0
  Li  Li11  1  0.145  0.366  0.067  1.0
  Ni  Ni12  1  0.996  0.994  0.999  1.0
  Ni  Ni13  1  0.710  0.290  0.858  1.0
  Ni  Ni14  1  0.069  0.930  0.785  1.0
  Ni  Ni15  1  0.431  0.568  0.714  1.0
  Ni  Ni16  1  0.145  0.861  0.572  1.0
  Ni  Ni17  1  0.505  0.498  0.501  1.0
  Ni  Ni18  1  0.857  0.144  0.427  1.0
  Ni  Ni19  1  0.216  0.780  0.357  1.0
  Ni  Ni20  1  0.925  0.074  0.215  1.0
  Ni  Ni21  1  0.284  0.711  0.143  1.0
  Ni  Ni22  1  0.638  0.358  0.070  1.0
  O  O23  1  0.902  0.297  0.966  1.0
  O  O24  1  0.459  0.329  0.964  1.0
  O  O25  1  0.812  0.983  0.888  1.0
  O  O26  1  0.239  0.964  0.892  1.0
  O  O27  1  0.630  0.584  0.812  1.0
  O  O28  1  0.166  0.624  0.809  1.0
  O  O29  1  0.975  0.234  0.761  1.0
  O  O30  1  0.510  0.274  0.759  1.0
  O  O31  1  0.891  0.893  0.675  1.0
  O  O32  1  0.335  0.873  0.681  1.0
  O  O33  1  0.685  0.537  0.607  1.0
  O  O34  1  0.241  0.558  0.605  1.0
  O  O35  1  0.593  0.195  0.522  1.0
  O  O36  1  0.961  0.836  0.467  1.0
  O  O37  1  0.061  0.154  0.526  1.0
  O  O38  1  0.403  0.804  0.468  1.0
  O  O39  1  0.770  0.440  0.407  1.0
  O  O40  1  0.302  0.488  0.402  1.0
  O  O41  1  0.678  0.114  0.320  1.0
  O  O42  1  0.120  0.084  0.322  1.0
  O  O43  1  0.456  0.752  0.249  1.0
  O  O44  1  0.027  0.769  0.249  1.0
  O  O45  1  0.844  0.367  0.170  1.0
  O  O46  1  0.374  0.410  0.165  1.0
  O  O47  1  0.741  0.050  0.109  1.0
  O  O48  1  0.180  0.017  0.108  1.0
  O  O49  1  0.553  0.655  0.050  1.0
  O  O50  1  0.082  0.701  0.043  1.0
[/CIF]
.