Li4TiNi3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. 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 three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)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, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)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(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the sixth Li site, Li(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with six equivalent Ni(5)O6 octahedra, edges with two equivalent Li(2)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 Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. Ti(1) 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 corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)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(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six 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 Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three 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 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, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(5), one Ni(1), one Ni(2), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, edges with three equivalent O(6)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Li(6), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, edges with three equivalent O(5)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), one Ti(1), one Ni(2), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(3)Li3TiNi2 octahedra, corners with three equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(6)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(6), one Ti(1), one Ni(3), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(3)Li3TiNi2 octahedra, corners with three equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(5)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(6), one Ti(1), one Ni(4), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(5)Li3TiNi2 octahedra, corners with three equivalent O(6)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(5), one Ti(1), one Ni(1), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(5)Li3TiNi2 octahedra, corners with three equivalent O(6)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(7)Li3TiNi2 octahedra, corners with three equivalent O(8)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, and edges with three equivalent O(6)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the eighth O site, O(8) is bonded to one Li(2), 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 three equivalent O(7)Li3TiNi2 octahedra, corners with three equivalent O(8)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with three equivalent O(5)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.
Li4TiNi3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. Both Li(1)-O(3) bond lengths are 2.16 Å. Both Li(1)-O(6) bond lengths are 2.16 Å. Both Li(1)-O(7) bond lengths are 2.23 Å. In the second Li site, Li(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. Both Li(2)-O(4) bond lengths are 2.15 Å. Both Li(2)-O(5) bond lengths are 2.20 Å. Both Li(2)-O(8) bond lengths are 2.17 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 three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)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, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Li(3)-O(1) bond length is 2.05 Å. The Li(3)-O(2) bond length is 2.22 Å. The Li(3)-O(5) bond length is 2.28 Å. The Li(3)-O(6) bond length is 2.09 Å. The Li(3)-O(7) bond length is 2.06 Å. The Li(3)-O(8) bond length is 2.08 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)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(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. The Li(4)-O(1) bond length is 2.26 Å. The Li(4)-O(2) bond length is 2.24 Å. The Li(4)-O(3) bond length is 2.05 Å. The Li(4)-O(4) bond length is 2.05 Å. The Li(4)-O(7) bond length is 2.15 Å. The Li(4)-O(8) bond length is 2.19 Å. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with six equivalent Ni(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Both Li(5)-O(1) bond lengths are 2.20 Å. Both Li(5)-O(3) bond lengths are 2.10 Å. Both Li(5)-O(6) bond lengths are 2.08 Å. In the sixth Li site, Li(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with six equivalent Ni(5)O6 octahedra, edges with two equivalent Li(2)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 Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. Both Li(6)-O(2) bond lengths are 2.16 Å. Both Li(6)-O(4) bond lengths are 2.13 Å. Both Li(6)-O(5) bond lengths are 2.07 Å. Ti(1) 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 corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)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(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. The Ti(1)-O(3) bond length is 1.96 Å. The Ti(1)-O(4) bond length is 1.95 Å. The Ti(1)-O(5) bond length is 2.09 Å. The Ti(1)-O(6) bond length is 1.92 Å. The Ti(1)-O(7) bond length is 2.00 Å. The Ti(1)-O(8) bond length is 2.02 Å. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. Both Ni(1)-O(1) bond lengths are 2.04 Å. Both Ni(1)-O(6) bond lengths are 2.11 Å. Both Ni(1)-O(7) bond lengths are 2.10 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with six 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 Li(5)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. Both Ni(2)-O(1) bond lengths are 1.92 Å. Both Ni(2)-O(3) bond lengths are 2.17 Å. Both Ni(2)-O(7) bond lengths are 1.96 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. Both Ni(3)-O(2) bond lengths are 1.96 Å. Both Ni(3)-O(4) bond lengths are 2.14 Å. Both Ni(3)-O(8) bond lengths are 1.92 Å. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Both Ni(4)-O(2) bond lengths are 1.93 Å. Both Ni(4)-O(5) bond lengths are 1.93 Å. Both Ni(4)-O(8) bond lengths are 2.14 Å. In the fifth Ni site, Ni(5) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three 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 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, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. The Ni(5)-O(1) bond length is 2.02 Å. The Ni(5)-O(2) bond length is 2.04 Å. The Ni(5)-O(3) bond length is 2.06 Å. The Ni(5)-O(4) bond length is 2.07 Å. The Ni(5)-O(5) bond length is 2.04 Å. The Ni(5)-O(6) bond length is 2.05 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(5), one Ni(1), one Ni(2), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, edges with three equivalent O(6)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Li(6), one Ni(3), one Ni(4), and one Ni(5) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(1)Li3Ni3 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, edges with three equivalent O(5)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Li(5), one Ti(1), one Ni(2), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(3)Li3TiNi2 octahedra, corners with three equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(6)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Li(6), one Ti(1), one Ni(3), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(3)Li3TiNi2 octahedra, corners with three equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(5)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(6), one Ti(1), one Ni(4), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(5)Li3TiNi2 octahedra, corners with three equivalent O(6)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with three equivalent O(8)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(5), one Ti(1), one Ni(1), and one Ni(5) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(5)Li3TiNi2 octahedra, corners with three equivalent O(6)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(8)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, and edges with three equivalent O(7)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one Ni(1), and one Ni(2) atom to form OLi3TiNi2 octahedra that share corners with three equivalent O(7)Li3TiNi2 octahedra, corners with three equivalent O(8)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3TiNi2 octahedra, edges with three equivalent O(1)Li3Ni3 octahedra, edges with three equivalent O(3)Li3TiNi2 octahedra, and edges with three equivalent O(6)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the eighth O site, O(8) is bonded to one Li(2), 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 three equivalent O(7)Li3TiNi2 octahedra, corners with three equivalent O(8)Li3TiNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(6)Li3TiNi2 octahedra, edges with three equivalent O(2)Li3Ni3 octahedra, edges with three equivalent O(4)Li3TiNi2 octahedra, and edges with three equivalent O(5)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°.