Li3(NiO2)5 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(20), one O(3), one O(5), one O(7), 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,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)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(3)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 9-13°. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(4), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(10)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)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 8-13°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(14), one O(19), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(2)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(10)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, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the fourth Li site, Li(4) is bonded to one O(10), one O(13), one O(15), one O(2), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)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,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(12), one O(14), one O(16), and one O(18) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(5)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(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 4-20°. In the sixth Li site, Li(6) is bonded to one O(15), one O(17), one O(19), one O(20), one O(3), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(10)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(3)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 Ni(10)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)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 7-14°. There are ten inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(16), one O(2), one O(20), and one O(4) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(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(10)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(7)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. In the second Ni site, Ni(2) is bonded to one O(18), one O(19), one O(3), one O(5), 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(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(10)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,  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 11-20°. In the third Ni site, Ni(3) is bonded to one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)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(3)O6 octahedra,  an edgeedge with one Li(4)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(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 10-13°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(11), one O(13), one O(17), one O(4), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)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(2)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 Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(10), one O(12), one O(13), one O(5), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent 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(10)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the sixth Ni site, Ni(6) is bonded to one O(12), one O(14), one O(15), 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(6)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 Li(5)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(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 8-12°. In the seventh Ni site, Ni(7) is bonded to one O(11), one O(14), one O(16), one O(20), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent 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(1)O6 octahedra,  an edgeedge with one Ni(10)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, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the eighth Ni site, Ni(8) is bonded to one O(12), one O(13), one O(15), one O(17), one O(18), and one O(19) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)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(6)O6 octahedra,  an edgeedge with one Ni(10)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,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the ninth Ni site, Ni(9) is bonded to one O(14), one O(15), one O(16), one O(18), one O(2), and one O(3) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)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 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(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the tenth Ni site, Ni(10) is bonded to one O(1), one O(11), one O(17), one O(19), one O(20), and one O(5) atom to form NiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)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(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,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ni(1), one Ni(10), and one Ni(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(1), one Ni(3), and one Ni(9) atom. In the third O site, O(3) is bonded to one Li(1), one Li(6), one Ni(2), one Ni(3), and one Ni(9) atom to form OLi2Ni3 square pyramids that share corners with two equivalent O(8)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid,  an edgeedge with one O(9)Li2Ni3 square pyramid, and  an edgeedge with one O(18)LiNi3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Ni(3), and one Ni(4) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(10), one Ni(2), and one Ni(5) atom to form OLi2Ni3 square pyramids that share corners with two equivalent O(11)Li3Ni3 octahedra,  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2Ni3 square pyramids,  a cornercorner with one O(18)LiNi3 trigonal pyramid,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 1-4°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(3), and one Ni(6) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li2Ni3 square pyramid,  a cornercorner with one O(9)Li2Ni3 square pyramid, corners with two equivalent O(19)Li2Ni3 square pyramids,  a cornercorner with one O(18)LiNi3 trigonal pyramid,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Ni(2), one Ni(5), and one Ni(6) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(19)Li2Ni3 square pyramid,  a cornercorner with one O(20)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(18)LiNi3 trigonal pyramid,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 10°. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Li(6), one Ni(3), one Ni(4), and one Ni(7) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(11)Li3Ni3 octahedra,  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Ni(3), one Ni(6), and one Ni(7) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(12)Li2Ni3 square pyramids, corners with two equivalent O(20)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Ni(1), one Ni(4), and one Ni(5) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(11)Li3Ni3 octahedra,  a cornercorner with one O(12)Li2Ni3 square pyramid,  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li2Ni3 square pyramid,  a cornercorner with one O(3)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(9)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Li(5), one Ni(10), one Ni(4), and one Ni(7) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids,  a cornercorner with one O(18)LiNi3 trigonal pyramid,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one Ni(5), one Ni(6), and one Ni(8) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(19)Li2Ni3 square pyramid, corners with two equivalent O(9)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(18)LiNi3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(4), one Ni(4), one Ni(5), and one Ni(8) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(18)LiNi3 trigonal pyramid,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 5°. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(5), one Ni(6), one Ni(7), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(11)Li3Ni3 octahedra,  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(19)Li2Ni3 square pyramid,  a cornercorner with one O(20)Li2Ni3 square pyramid,  a cornercorner with one O(3)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(9)Li2Ni3 square pyramid, and  an edgeedge with one O(18)LiNi3 trigonal pyramid. The corner-sharing octahedral tilt angles are 8°. In the fifteenth O site, O(15) is bonded to one Li(4), one Li(6), one Ni(6), one Ni(8), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(20)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(9)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(18)LiNi3 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a see-saw-like geometry to one Li(5), one Ni(1), one Ni(7), and one Ni(9) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ni(10), one Ni(4), and one Ni(8) atom. In the eighteenth O site, O(18) is bonded to one Li(5), one Ni(2), one Ni(8), and one Ni(9) atom to form OLiNi3 trigonal pyramids that share  a cornercorner with one O(11)Li3Ni3 octahedra,  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid, and  an edgeedge with one O(3)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 14°. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(6), one Ni(10), one Ni(2), and one Ni(8) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(12)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(20)Li2Ni3 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(18)LiNi3 trigonal pyramid. In the twentieth O site, O(20) is bonded to one Li(1), one Li(6), one Ni(1), one Ni(10), and one Ni(7) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(19)Li2Ni3 square pyramids, corners with two equivalent O(9)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, and  an edgeedge with one O(5)Li2Ni3 square pyramid.
Li3(NiO2)5 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(20), one O(3), one O(5), one O(7), 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,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)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(3)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 9-13°. The Li(1)-O(10) bond length is 2.22 Å. The Li(1)-O(20) bond length is 2.06 Å. The Li(1)-O(3) bond length is 2.11 Å. The Li(1)-O(5) bond length is 2.12 Å. The Li(1)-O(7) bond length is 2.13 Å. The Li(1)-O(9) bond length is 2.05 Å. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(4), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(10)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)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 8-13°. The Li(2)-O(11) bond length is 2.09 Å. The Li(2)-O(12) bond length is 2.21 Å. The Li(2)-O(4) bond length is 2.12 Å. The Li(2)-O(5) bond length is 2.03 Å. The Li(2)-O(6) bond length is 2.09 Å. The Li(2)-O(9) bond length is 2.17 Å. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(14), one O(19), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(2)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(10)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, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. The Li(3)-O(11) bond length is 2.10 Å. The Li(3)-O(13) bond length is 2.18 Å. The Li(3)-O(14) bond length is 2.11 Å. The Li(3)-O(19) bond length is 2.05 Å. The Li(3)-O(6) bond length is 2.06 Å. The Li(3)-O(8) bond length is 2.20 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(13), one O(15), one O(2), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)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,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-14°. The Li(4)-O(10) bond length is 2.10 Å. The Li(4)-O(13) bond length is 2.18 Å. The Li(4)-O(15) bond length is 2.10 Å. The Li(4)-O(2) bond length is 1.99 Å. The Li(4)-O(7) bond length is 2.05 Å. The Li(4)-O(8) bond length is 2.22 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(12), one O(14), one O(16), and one O(18) atom to form distorted LiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(9)O6 octahedra, corners with two equivalent Ni(5)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(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 4-20°. The Li(5)-O(1) bond length is 2.04 Å. The Li(5)-O(11) bond length is 2.37 Å. The Li(5)-O(12) bond length is 2.15 Å. The Li(5)-O(14) bond length is 2.28 Å. The Li(5)-O(16) bond length is 2.04 Å. The Li(5)-O(18) bond length is 1.96 Å. In the sixth Li site, Li(6) is bonded to one O(15), one O(17), one O(19), one O(20), one O(3), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(10)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(3)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 Ni(10)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)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 7-14°. The Li(6)-O(15) bond length is 2.11 Å. The Li(6)-O(17) bond length is 2.09 Å. The Li(6)-O(19) bond length is 2.18 Å. The Li(6)-O(20) bond length is 2.21 Å. The Li(6)-O(3) bond length is 2.03 Å. The Li(6)-O(8) bond length is 2.10 Å. There are ten inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(16), one O(2), one O(20), and one O(4) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(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(10)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(7)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. The Ni(1)-O(1) bond length is 1.87 Å. The Ni(1)-O(10) bond length is 1.88 Å. The Ni(1)-O(16) bond length is 1.88 Å. The Ni(1)-O(2) bond length is 1.87 Å. The Ni(1)-O(20) bond length is 1.89 Å. The Ni(1)-O(4) bond length is 1.90 Å. In the second Ni site, Ni(2) is bonded to one O(18), one O(19), one O(3), one O(5), 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(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ni(10)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,  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 11-20°. The Ni(2)-O(18) bond length is 1.94 Å. The Ni(2)-O(19) bond length is 2.10 Å. The Ni(2)-O(3) bond length is 1.86 Å. The Ni(2)-O(5) bond length is 1.87 Å. The Ni(2)-O(6) bond length is 2.08 Å. The Ni(2)-O(7) bond length is 1.96 Å. In the third Ni site, Ni(3) is bonded to one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)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(3)O6 octahedra,  an edgeedge with one Li(4)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(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 10-13°. The Ni(3)-O(2) bond length is 1.86 Å. The Ni(3)-O(3) bond length is 2.07 Å. The Ni(3)-O(4) bond length is 1.91 Å. The Ni(3)-O(6) bond length is 1.93 Å. The Ni(3)-O(8) bond length is 2.10 Å. The Ni(3)-O(9) bond length is 1.88 Å. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(11), one O(13), one O(17), one O(4), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)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(2)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 Ni(1)O6 octahedra,  an edgeedge with one Ni(10)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. The Ni(4)-O(10) bond length is 1.89 Å. The Ni(4)-O(11) bond length is 1.88 Å. The Ni(4)-O(13) bond length is 1.89 Å. The Ni(4)-O(17) bond length is 1.89 Å. The Ni(4)-O(4) bond length is 1.89 Å. The Ni(4)-O(8) bond length is 1.88 Å. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(10), one O(12), one O(13), one O(5), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent 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(10)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. The Ni(5)-O(1) bond length is 2.05 Å. The Ni(5)-O(10) bond length is 1.95 Å. The Ni(5)-O(12) bond length is 2.09 Å. The Ni(5)-O(13) bond length is 1.89 Å. The Ni(5)-O(5) bond length is 1.86 Å. The Ni(5)-O(7) bond length is 1.95 Å. In the sixth Ni site, Ni(6) is bonded to one O(12), one O(14), one O(15), 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(6)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 Li(5)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(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 8-12°. The Ni(6)-O(12) bond length is 1.87 Å. The Ni(6)-O(14) bond length is 1.89 Å. The Ni(6)-O(15) bond length is 1.89 Å. The Ni(6)-O(6) bond length is 1.87 Å. The Ni(6)-O(7) bond length is 1.87 Å. The Ni(6)-O(9) bond length is 1.89 Å. In the seventh Ni site, Ni(7) is bonded to one O(11), one O(14), one O(16), one O(20), one O(8), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent 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(1)O6 octahedra,  an edgeedge with one Ni(10)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, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. The Ni(7)-O(11) bond length is 1.91 Å. The Ni(7)-O(14) bond length is 1.91 Å. The Ni(7)-O(16) bond length is 1.89 Å. The Ni(7)-O(20) bond length is 2.09 Å. The Ni(7)-O(8) bond length is 1.91 Å. The Ni(7)-O(9) bond length is 2.10 Å. In the eighth Ni site, Ni(8) is bonded to one O(12), one O(13), one O(15), one O(17), one O(18), and one O(19) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)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(6)O6 octahedra,  an edgeedge with one Ni(10)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,  an edgeedge with one Ni(6)O6 octahedra, and  an edgeedge with one Ni(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. The Ni(8)-O(12) bond length is 1.88 Å. The Ni(8)-O(13) bond length is 1.90 Å. The Ni(8)-O(15) bond length is 1.87 Å. The Ni(8)-O(17) bond length is 1.90 Å. The Ni(8)-O(18) bond length is 1.86 Å. The Ni(8)-O(19) bond length is 1.87 Å. In the ninth Ni site, Ni(9) is bonded to one O(14), one O(15), one O(16), one O(18), one O(2), and one O(3) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)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 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(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-17°. The Ni(9)-O(14) bond length is 1.90 Å. The Ni(9)-O(15) bond length is 2.12 Å. The Ni(9)-O(16) bond length is 1.91 Å. The Ni(9)-O(18) bond length is 1.91 Å. The Ni(9)-O(2) bond length is 2.09 Å. The Ni(9)-O(3) bond length is 1.89 Å. In the tenth Ni site, Ni(10) is bonded to one O(1), one O(11), one O(17), one O(19), one O(20), and one O(5) atom to form NiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)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(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,  an edgeedge with one Ni(7)O6 octahedra, and  an edgeedge with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. The Ni(10)-O(1) bond length is 1.88 Å. The Ni(10)-O(11) bond length is 2.09 Å. The Ni(10)-O(17) bond length is 1.91 Å. The Ni(10)-O(19) bond length is 1.90 Å. The Ni(10)-O(20) bond length is 1.88 Å. The Ni(10)-O(5) bond length is 2.09 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(5), one Ni(1), one Ni(10), and one Ni(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ni(1), one Ni(3), and one Ni(9) atom. In the third O site, O(3) is bonded to one Li(1), one Li(6), one Ni(2), one Ni(3), and one Ni(9) atom to form OLi2Ni3 square pyramids that share corners with two equivalent O(8)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid,  an edgeedge with one O(9)Li2Ni3 square pyramid, and  an edgeedge with one O(18)LiNi3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 1-5°. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(1), one Ni(3), and one Ni(4) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ni(10), one Ni(2), and one Ni(5) atom to form OLi2Ni3 square pyramids that share corners with two equivalent O(11)Li3Ni3 octahedra,  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2Ni3 square pyramids,  a cornercorner with one O(18)LiNi3 trigonal pyramid,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 1-4°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Ni(2), one Ni(3), and one Ni(6) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li2Ni3 square pyramid,  a cornercorner with one O(9)Li2Ni3 square pyramid, corners with two equivalent O(19)Li2Ni3 square pyramids,  a cornercorner with one O(18)LiNi3 trigonal pyramid,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Ni(2), one Ni(5), and one Ni(6) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(19)Li2Ni3 square pyramid,  a cornercorner with one O(20)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(18)LiNi3 trigonal pyramid,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 10°. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Li(6), one Ni(3), one Ni(4), and one Ni(7) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(11)Li3Ni3 octahedra,  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Ni(3), one Ni(6), and one Ni(7) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with two equivalent O(12)Li2Ni3 square pyramids, corners with two equivalent O(20)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Ni(1), one Ni(4), and one Ni(5) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(11)Li3Ni3 octahedra,  a cornercorner with one O(12)Li2Ni3 square pyramid,  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li2Ni3 square pyramid,  a cornercorner with one O(3)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  a cornercorner with one O(9)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Li(5), one Ni(10), one Ni(4), and one Ni(7) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid, corners with two equivalent O(5)Li2Ni3 square pyramids,  a cornercorner with one O(18)LiNi3 trigonal pyramid,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(20)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid, and  an edgeedge with one O(9)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(5), one Ni(5), one Ni(6), and one Ni(8) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(19)Li2Ni3 square pyramid, corners with two equivalent O(9)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(18)LiNi3 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(4), one Ni(4), one Ni(5), and one Ni(8) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(18)LiNi3 trigonal pyramid,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid, and  an edgeedge with one O(7)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 5°. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(5), one Ni(6), one Ni(7), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(11)Li3Ni3 octahedra,  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(19)Li2Ni3 square pyramid,  a cornercorner with one O(20)Li2Ni3 square pyramid,  a cornercorner with one O(3)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(6)Li2Ni3 square pyramid,  an edgeedge with one O(9)Li2Ni3 square pyramid, and  an edgeedge with one O(18)LiNi3 trigonal pyramid. The corner-sharing octahedral tilt angles are 8°. In the fifteenth O site, O(15) is bonded to one Li(4), one Li(6), one Ni(6), one Ni(8), and one Ni(9) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(10)Li2Ni3 square pyramid,  a cornercorner with one O(20)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(9)Li2Ni3 square pyramid,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(7)Li2Ni3 square pyramid, and  an edgeedge with one O(18)LiNi3 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a see-saw-like geometry to one Li(5), one Ni(1), one Ni(7), and one Ni(9) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Li(6), one Ni(10), one Ni(4), and one Ni(8) atom. In the eighteenth O site, O(18) is bonded to one Li(5), one Ni(2), one Ni(8), and one Ni(9) atom to form OLiNi3 trigonal pyramids that share  a cornercorner with one O(11)Li3Ni3 octahedra,  a cornercorner with one O(13)Li2Ni3 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid,  an edgeedge with one O(12)Li2Ni3 square pyramid,  an edgeedge with one O(14)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(19)Li2Ni3 square pyramid, and  an edgeedge with one O(3)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles are 14°. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(6), one Ni(10), one Ni(2), and one Ni(8) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(12)Li2Ni3 square pyramid,  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(20)Li2Ni3 square pyramids, corners with two equivalent O(6)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(13)Li2Ni3 square pyramid,  an edgeedge with one O(15)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(18)LiNi3 trigonal pyramid. In the twentieth O site, O(20) is bonded to one Li(1), one Li(6), one Ni(1), one Ni(10), and one Ni(7) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(14)Li2Ni3 square pyramid,  a cornercorner with one O(15)Li2Ni3 square pyramid,  a cornercorner with one O(7)Li2Ni3 square pyramid, corners with two equivalent O(19)Li2Ni3 square pyramids, corners with two equivalent O(9)Li2Ni3 square pyramids,  an edgeedge with one O(11)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, and  an edgeedge with one O(5)Li2Ni3 square pyramid.