Li3Ti2(NiO4)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ti(1)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(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fourth Li site, Li(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with six 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(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share  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(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(5), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share corners with two equivalent O(2)Li3TiNi2 octahedra, corners with four equivalent O(1)Li3TiNi2 octahedra, edges with two equivalent O(5)Li2Ti2Ni square pyramids, edges with two equivalent O(6)Li2Ti2Ni square pyramids, edges with two equivalent O(7)Li2Ti2Ni square pyramids, edges with two equivalent O(8)Li2Ti2Ni square pyramids, and edges with four equivalent O(4)Li2TiNi2 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one Ni(3), and one Ni(4) atom to form OLi3TiNi2 octahedra that share corners with two equivalent O(1)Li3TiNi2 octahedra, corners with four equivalent O(2)Li3TiNi2 octahedra, edges with two equivalent O(5)Li2Ti2Ni square pyramids, edges with two equivalent O(6)Li2Ti2Ni square pyramids, edges with two equivalent O(7)Li2Ti2Ni square pyramids, edges with two equivalent O(8)Li2Ti2Ni square pyramids, and edges with four equivalent O(3)Li2TiNi2 square pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Ti(2), one Ni(3), and one Ni(4) atom to form OLi2TiNi2 square pyramids that share  a cornercorner with one O(5)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid,  a cornercorner with one O(7)Li2Ti2Ni square pyramid,  a cornercorner with one O(8)Li2Ti2Ni square pyramid,  a cornercorner with one O(4)Li2TiNi2 square pyramid, corners with four equivalent O(3)Li2TiNi2 square pyramids, edges with four equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li2Ti2Ni square pyramid,  an edgeedge with one O(6)Li2Ti2Ni square pyramid,  an edgeedge with one O(7)Li2Ti2Ni square pyramid, and  an edgeedge with one O(8)Li2Ti2Ni square pyramid. In the fourth O site, O(4) is bonded to one Li(2), one Li(5), one Ti(2), one Ni(1), and one Ni(2) atom to form OLi2TiNi2 square pyramids that share  a cornercorner with one O(5)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid,  a cornercorner with one O(7)Li2Ti2Ni square pyramid,  a cornercorner with one O(8)Li2Ti2Ni square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid, corners with four equivalent O(4)Li2TiNi2 square pyramids, edges with four equivalent O(1)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li2Ti2Ni square pyramid,  an edgeedge with one O(6)Li2Ti2Ni square pyramid,  an edgeedge with one O(7)Li2Ti2Ni square pyramid, and  an edgeedge with one O(8)Li2Ti2Ni square pyramid. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Ti(1), one Ti(2), and one Ni(1) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(7)Li2Ti2Ni square pyramid,  a cornercorner with one O(8)Li2Ti2Ni square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid,  a cornercorner with one O(4)Li2TiNi2 square pyramid, corners with two equivalent O(5)Li2Ti2Ni square pyramids, corners with three equivalent O(6)Li2Ti2Ni square pyramids, edges with two equivalent O(1)Li3TiNi2 octahedra, edges with two equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li2Ti2Ni square pyramid,  an edgeedge with one O(8)Li2Ti2Ni square pyramid,  an edgeedge with one O(3)Li2TiNi2 square pyramid, and  an edgeedge with one O(4)Li2TiNi2 square pyramid. In the sixth O site, O(6) is bonded to one Li(3), one Li(5), one Ti(1), one Ti(2), and one Ni(4) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(7)Li2Ti2Ni square pyramid,  a cornercorner with one O(8)Li2Ti2Ni square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid,  a cornercorner with one O(4)Li2TiNi2 square pyramid, corners with two equivalent O(6)Li2Ti2Ni square pyramids, corners with three equivalent O(5)Li2Ti2Ni square pyramids, edges with two equivalent O(1)Li3TiNi2 octahedra, edges with two equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li2Ti2Ni square pyramid,  an edgeedge with one O(8)Li2Ti2Ni square pyramid,  an edgeedge with one O(3)Li2TiNi2 square pyramid, and  an edgeedge with one O(4)Li2TiNi2 square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Ti(1), one Ti(2), and one Ni(3) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(5)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid,  a cornercorner with one O(4)Li2TiNi2 square pyramid, corners with two equivalent O(7)Li2Ti2Ni square pyramids, corners with three equivalent O(8)Li2Ti2Ni square pyramids, edges with two equivalent O(1)Li3TiNi2 octahedra, edges with two equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li2Ti2Ni square pyramid,  an edgeedge with one O(6)Li2Ti2Ni square pyramid,  an edgeedge with one O(3)Li2TiNi2 square pyramid, and  an edgeedge with one O(4)Li2TiNi2 square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Ti(1), one Ti(2), and one Ni(2) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(5)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid,  a cornercorner with one O(4)Li2TiNi2 square pyramid, corners with two equivalent O(8)Li2Ti2Ni square pyramids, corners with three equivalent O(7)Li2Ti2Ni square pyramids, edges with two equivalent O(1)Li3TiNi2 octahedra, edges with two equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li2Ti2Ni square pyramid,  an edgeedge with one O(6)Li2Ti2Ni square pyramid,  an edgeedge with one O(3)Li2TiNi2 square pyramid, and  an edgeedge with one O(4)Li2TiNi2 square pyramid.
Li3Ti2(NiO4)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. Both Li(1)-O(2) bond lengths are 2.20 Å. Both Li(1)-O(3) bond lengths are 2.23 Å. Both Li(1)-O(8) bond lengths are 2.08 Å. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. Both Li(2)-O(1) bond lengths are 2.20 Å. Both Li(2)-O(4) bond lengths are 2.23 Å. Both Li(2)-O(7) bond lengths are 2.08 Å. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with six equivalent Ti(1)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(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. The Li(3)-O(1) bond length is 2.30 Å. The Li(3)-O(2) bond length is 2.28 Å. The Li(3)-O(5) bond length is 2.17 Å. The Li(3)-O(6) bond length is 2.17 Å. The Li(3)-O(7) bond length is 2.17 Å. The Li(3)-O(8) bond length is 2.17 Å. In the fourth Li site, Li(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. Both Li(4)-O(2) bond lengths are 2.08 Å. Both Li(4)-O(3) bond lengths are 2.10 Å. Both Li(4)-O(5) bond lengths are 2.17 Å. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. Both Li(5)-O(1) bond lengths are 2.08 Å. Both Li(5)-O(4) bond lengths are 2.09 Å. Both Li(5)-O(6) bond lengths are 2.17 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with six 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(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. The Ti(1)-O(1) bond length is 2.02 Å. The Ti(1)-O(2) bond length is 2.02 Å. The Ti(1)-O(5) bond length is 1.98 Å. The Ti(1)-O(6) bond length is 1.98 Å. The Ti(1)-O(7) bond length is 1.97 Å. The Ti(1)-O(8) bond length is 1.99 Å. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share  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(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The Ti(2)-O(3) bond length is 1.97 Å. The Ti(2)-O(4) bond length is 1.97 Å. The Ti(2)-O(5) bond length is 1.96 Å. The Ti(2)-O(6) bond length is 1.97 Å. The Ti(2)-O(7) bond length is 1.97 Å. The Ti(2)-O(8) bond length is 1.96 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. Both Ni(1)-O(1) bond lengths are 2.07 Å. Both Ni(1)-O(4) bond lengths are 2.08 Å. Both Ni(1)-O(5) bond lengths are 2.14 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. Both Ni(2)-O(1) bond lengths are 1.95 Å. Both Ni(2)-O(4) bond lengths are 1.93 Å. Both Ni(2)-O(8) bond lengths are 2.23 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. Both Ni(3)-O(2) bond lengths are 1.95 Å. Both Ni(3)-O(3) bond lengths are 1.93 Å. Both Ni(3)-O(7) bond lengths are 2.23 Å. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. Both Ni(4)-O(2) bond lengths are 2.07 Å. Both Ni(4)-O(3) bond lengths are 2.07 Å. Both Ni(4)-O(6) bond lengths are 2.14 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(5), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share corners with two equivalent O(2)Li3TiNi2 octahedra, corners with four equivalent O(1)Li3TiNi2 octahedra, edges with two equivalent O(5)Li2Ti2Ni square pyramids, edges with two equivalent O(6)Li2Ti2Ni square pyramids, edges with two equivalent O(7)Li2Ti2Ni square pyramids, edges with two equivalent O(8)Li2Ti2Ni square pyramids, and edges with four equivalent O(4)Li2TiNi2 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one Ni(3), and one Ni(4) atom to form OLi3TiNi2 octahedra that share corners with two equivalent O(1)Li3TiNi2 octahedra, corners with four equivalent O(2)Li3TiNi2 octahedra, edges with two equivalent O(5)Li2Ti2Ni square pyramids, edges with two equivalent O(6)Li2Ti2Ni square pyramids, edges with two equivalent O(7)Li2Ti2Ni square pyramids, edges with two equivalent O(8)Li2Ti2Ni square pyramids, and edges with four equivalent O(3)Li2TiNi2 square pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Ti(2), one Ni(3), and one Ni(4) atom to form OLi2TiNi2 square pyramids that share  a cornercorner with one O(5)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid,  a cornercorner with one O(7)Li2Ti2Ni square pyramid,  a cornercorner with one O(8)Li2Ti2Ni square pyramid,  a cornercorner with one O(4)Li2TiNi2 square pyramid, corners with four equivalent O(3)Li2TiNi2 square pyramids, edges with four equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li2Ti2Ni square pyramid,  an edgeedge with one O(6)Li2Ti2Ni square pyramid,  an edgeedge with one O(7)Li2Ti2Ni square pyramid, and  an edgeedge with one O(8)Li2Ti2Ni square pyramid. In the fourth O site, O(4) is bonded to one Li(2), one Li(5), one Ti(2), one Ni(1), and one Ni(2) atom to form OLi2TiNi2 square pyramids that share  a cornercorner with one O(5)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid,  a cornercorner with one O(7)Li2Ti2Ni square pyramid,  a cornercorner with one O(8)Li2Ti2Ni square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid, corners with four equivalent O(4)Li2TiNi2 square pyramids, edges with four equivalent O(1)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li2Ti2Ni square pyramid,  an edgeedge with one O(6)Li2Ti2Ni square pyramid,  an edgeedge with one O(7)Li2Ti2Ni square pyramid, and  an edgeedge with one O(8)Li2Ti2Ni square pyramid. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Ti(1), one Ti(2), and one Ni(1) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(7)Li2Ti2Ni square pyramid,  a cornercorner with one O(8)Li2Ti2Ni square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid,  a cornercorner with one O(4)Li2TiNi2 square pyramid, corners with two equivalent O(5)Li2Ti2Ni square pyramids, corners with three equivalent O(6)Li2Ti2Ni square pyramids, edges with two equivalent O(1)Li3TiNi2 octahedra, edges with two equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li2Ti2Ni square pyramid,  an edgeedge with one O(8)Li2Ti2Ni square pyramid,  an edgeedge with one O(3)Li2TiNi2 square pyramid, and  an edgeedge with one O(4)Li2TiNi2 square pyramid. In the sixth O site, O(6) is bonded to one Li(3), one Li(5), one Ti(1), one Ti(2), and one Ni(4) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(7)Li2Ti2Ni square pyramid,  a cornercorner with one O(8)Li2Ti2Ni square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid,  a cornercorner with one O(4)Li2TiNi2 square pyramid, corners with two equivalent O(6)Li2Ti2Ni square pyramids, corners with three equivalent O(5)Li2Ti2Ni square pyramids, edges with two equivalent O(1)Li3TiNi2 octahedra, edges with two equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li2Ti2Ni square pyramid,  an edgeedge with one O(8)Li2Ti2Ni square pyramid,  an edgeedge with one O(3)Li2TiNi2 square pyramid, and  an edgeedge with one O(4)Li2TiNi2 square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Ti(1), one Ti(2), and one Ni(3) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(5)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid,  a cornercorner with one O(4)Li2TiNi2 square pyramid, corners with two equivalent O(7)Li2Ti2Ni square pyramids, corners with three equivalent O(8)Li2Ti2Ni square pyramids, edges with two equivalent O(1)Li3TiNi2 octahedra, edges with two equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li2Ti2Ni square pyramid,  an edgeedge with one O(6)Li2Ti2Ni square pyramid,  an edgeedge with one O(3)Li2TiNi2 square pyramid, and  an edgeedge with one O(4)Li2TiNi2 square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Ti(1), one Ti(2), and one Ni(2) atom to form OLi2Ti2Ni square pyramids that share  a cornercorner with one O(5)Li2Ti2Ni square pyramid,  a cornercorner with one O(6)Li2Ti2Ni square pyramid,  a cornercorner with one O(3)Li2TiNi2 square pyramid,  a cornercorner with one O(4)Li2TiNi2 square pyramid, corners with two equivalent O(8)Li2Ti2Ni square pyramids, corners with three equivalent O(7)Li2Ti2Ni square pyramids, edges with two equivalent O(1)Li3TiNi2 octahedra, edges with two equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li2Ti2Ni square pyramid,  an edgeedge with one O(6)Li2Ti2Ni square pyramid,  an edgeedge with one O(3)Li2TiNi2 square pyramid, and  an edgeedge with one O(4)Li2TiNi2 square pyramid.