Li4Ti2Ni3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)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(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(7), one O(8), and two equivalent O(10) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(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 Ti(1)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(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(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the third Ni site, Ni(3) is bonded to two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(3), one O(6), one O(8), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)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 Ti(1)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 6-12°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Ti(1), one Ni(2), and two equivalent Ni(1) atoms to form OLiTiNi3 square pyramids that share  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(1)LiTiNi3 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid, corners with two equivalent O(5)Li2TiNi2 square pyramids, corners with two equivalent O(4)Li3Ti2 square pyramids, corners with two equivalent O(6)LiTiNi3 square pyramids, edges with two equivalent O(8)Li2TiNi3 octahedra, edges with two equivalent O(3)Li3TiNi2 octahedra, edges with two equivalent O(2)Li4TiNi octahedra,  an edgeedge with one O(1)LiTiNi3 square pyramid, and  an edgeedge with one O(6)LiTiNi3 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ti(1), and one Ni(1) atom to form OLi4TiNi octahedra that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiNi square pyramid,  a cornercorner with one O(6)LiTiNi3 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(2)Li4TiNi octahedra, edges with two equivalent O(3)Li3TiNi2 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(5)Li2TiNi2 square pyramid,  an edgeedge with one O(6)LiTiNi3 square pyramid, edges with two equivalent O(4)Li3Ti2 square pyramids, and edges with two equivalent O(1)LiTiNi3 square pyramids. The corner-sharing octahedral tilt angles range from 3-9°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ni(2), and one Ni(4) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(5)Li2TiNi2 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(2)Li4TiNi octahedra,  an edgeedge with one O(10)Li3TiNi square pyramid,  an edgeedge with one O(9)LiTiNi3 square pyramid, edges with two equivalent O(4)Li3Ti2 square pyramids, edges with two equivalent O(1)LiTiNi3 square pyramids, and edges with two equivalent O(6)LiTiNi3 square pyramids. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), and two equivalent Ti(1) atoms to form OLi3Ti2 square pyramids that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(10)Li3TiNi square pyramid,  a cornercorner with one O(6)LiTiNi3 square pyramid, corners with two equivalent O(5)Li2TiNi2 square pyramids, corners with two equivalent O(1)LiTiNi3 square pyramids,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(3)Li3TiNi2 octahedra, edges with two equivalent O(2)Li4TiNi octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid, and  an edgeedge with one O(10)Li3TiNi square pyramid. The corner-sharing octahedral tilt angles range from 2-6°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Ti(2), one Ni(1), and one Ni(3) atom to form OLi2TiNi2 square pyramids that share  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(5)Li2TiNi2 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid, corners with two equivalent O(4)Li3Ti2 square pyramids, corners with two equivalent O(10)Li3TiNi square pyramids, corners with two equivalent O(1)LiTiNi3 square pyramids,  an edgeedge with one O(2)Li4TiNi octahedra, edges with two equivalent O(8)Li2TiNi3 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(10)Li3TiNi square pyramid,  an edgeedge with one O(6)LiTiNi3 square pyramid, and  an edgeedge with one O(9)LiTiNi3 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the sixth O site, O(6) is bonded to one Li(1), one Ti(2), one Ni(1), one Ni(2), and one Ni(4) atom to form OLiTiNi3 square pyramids that share  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(6)LiTiNi3 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid, corners with two equivalent O(10)Li3TiNi square pyramids, corners with two equivalent O(1)LiTiNi3 square pyramids,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra,  an edgeedge with one O(2)Li4TiNi octahedra, edges with two equivalent O(3)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li2TiNi2 square pyramid,  an edgeedge with one O(1)LiTiNi3 square pyramid, and  an edgeedge with one O(9)LiTiNi3 square pyramid. The corner-sharing octahedral tilt angles range from 4-14°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent Ti(2) atoms to form OLi4Ti2 octahedra that share  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiNi square pyramid,  a cornercorner with one O(1)LiTiNi3 square pyramid,  a cornercorner with one O(6)LiTiNi3 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(2)Li4TiNi octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(6)LiTiNi3 square pyramid,  an edgeedge with one O(9)LiTiNi3 square pyramid, edges with two equivalent O(5)Li2TiNi2 square pyramids, and edges with two equivalent O(10)Li3TiNi square pyramids. The corner-sharing octahedral tilt angles are 9°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Ti(1), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi2TiNi3 octahedra that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiNi square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra,  an edgeedge with one O(2)Li4TiNi octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(10)Li3TiNi square pyramid,  an edgeedge with one O(6)LiTiNi3 square pyramid, edges with two equivalent O(5)Li2TiNi2 square pyramids, edges with two equivalent O(1)LiTiNi3 square pyramids, and edges with two equivalent O(9)LiTiNi3 square pyramids. The corner-sharing octahedral tilt angles range from 0-5°. In the ninth O site, O(9) is bonded to one Li(2), one Ti(2), one Ni(3), and two equivalent Ni(4) atoms to form OLiTiNi3 square pyramids that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(5)Li2TiNi2 square pyramid,  a cornercorner with one O(10)Li3TiNi square pyramid,  a cornercorner with one O(1)LiTiNi3 square pyramid,  a cornercorner with one O(6)LiTiNi3 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(8)Li2TiNi3 octahedra,  an edgeedge with one O(5)Li2TiNi2 square pyramid,  an edgeedge with one O(10)Li3TiNi square pyramid,  an edgeedge with one O(6)LiTiNi3 square pyramid, and  an edgeedge with one O(9)LiTiNi3 square pyramid. The corner-sharing octahedral tilt angles range from 2-12°. In the tenth O site, O(10) is bonded to one Li(3), two equivalent Li(4), one Ti(2), and one Ni(4) atom to form OLi3TiNi square pyramids that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid, corners with two equivalent O(5)Li2TiNi2 square pyramids, corners with two equivalent O(6)LiTiNi3 square pyramids,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(5)Li2TiNi2 square pyramid,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(10)Li3TiNi square pyramid, and  an edgeedge with one O(9)LiTiNi3 square pyramid. The corner-sharing octahedral tilt angles range from 0-9°.
Li4Ti2Ni3O10 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. The Li(1)-O(3) bond length is 2.09 Å. The Li(1)-O(4) bond length is 2.10 Å. The Li(1)-O(6) bond length is 2.07 Å. The Li(1)-O(7) bond length is 2.17 Å. There is one shorter (2.11 Å) and one longer (2.35 Å) Li(1)-O(2) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)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(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. The Li(2)-O(1) bond length is 2.14 Å. The Li(2)-O(2) bond length is 2.16 Å. The Li(2)-O(3) bond length is 2.11 Å. The Li(2)-O(7) bond length is 2.28 Å. The Li(2)-O(8) bond length is 2.15 Å. The Li(2)-O(9) bond length is 2.07 Å. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. The Li(3)-O(10) bond length is 2.01 Å. The Li(3)-O(2) bond length is 2.01 Å. The Li(3)-O(3) bond length is 2.27 Å. The Li(3)-O(4) bond length is 2.11 Å. The Li(3)-O(5) bond length is 2.20 Å. The Li(3)-O(7) bond length is 2.12 Å. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(7), one O(8), and two equivalent O(10) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(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 Ti(1)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. The Li(4)-O(4) bond length is 2.21 Å. The Li(4)-O(5) bond length is 2.18 Å. The Li(4)-O(7) bond length is 2.16 Å. The Li(4)-O(8) bond length is 2.30 Å. There is one shorter (2.00 Å) and one longer (2.12 Å) Li(4)-O(10) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. The Ti(1)-O(1) bond length is 2.07 Å. The Ti(1)-O(2) bond length is 1.96 Å. The Ti(1)-O(3) bond length is 1.94 Å. The Ti(1)-O(8) bond length is 2.06 Å. There is one shorter (1.89 Å) and one longer (1.94 Å) Ti(1)-O(4) bond length. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. The Ti(2)-O(10) bond length is 1.82 Å. The Ti(2)-O(5) bond length is 2.14 Å. The Ti(2)-O(6) bond length is 2.00 Å. The Ti(2)-O(9) bond length is 2.01 Å. There is one shorter (1.92 Å) and one longer (2.00 Å) Ti(2)-O(7) bond length. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(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(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. The Ni(1)-O(2) bond length is 1.93 Å. The Ni(1)-O(5) bond length is 1.89 Å. The Ni(1)-O(6) bond length is 1.97 Å. The Ni(1)-O(8) bond length is 1.94 Å. There is one shorter (1.90 Å) and one longer (2.03 Å) Ni(1)-O(1) bond length. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. Both Ni(2)-O(1) bond lengths are 2.09 Å. Both Ni(2)-O(3) bond lengths are 2.02 Å. Both Ni(2)-O(6) bond lengths are 2.12 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. Both Ni(3)-O(5) bond lengths are 1.96 Å. Both Ni(3)-O(8) bond lengths are 2.13 Å. Both Ni(3)-O(9) bond lengths are 2.00 Å. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(3), one O(6), one O(8), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)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 Ti(1)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 6-12°. The Ni(4)-O(10) bond length is 2.07 Å. The Ni(4)-O(3) bond length is 2.05 Å. The Ni(4)-O(6) bond length is 2.10 Å. The Ni(4)-O(8) bond length is 2.08 Å. There is one shorter (2.07 Å) and one longer (2.09 Å) Ni(4)-O(9) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Ti(1), one Ni(2), and two equivalent Ni(1) atoms to form OLiTiNi3 square pyramids that share  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(1)LiTiNi3 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid, corners with two equivalent O(5)Li2TiNi2 square pyramids, corners with two equivalent O(4)Li3Ti2 square pyramids, corners with two equivalent O(6)LiTiNi3 square pyramids, edges with two equivalent O(8)Li2TiNi3 octahedra, edges with two equivalent O(3)Li3TiNi2 octahedra, edges with two equivalent O(2)Li4TiNi octahedra,  an edgeedge with one O(1)LiTiNi3 square pyramid, and  an edgeedge with one O(6)LiTiNi3 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Ti(1), and one Ni(1) atom to form OLi4TiNi octahedra that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiNi square pyramid,  a cornercorner with one O(6)LiTiNi3 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(2)Li4TiNi octahedra, edges with two equivalent O(3)Li3TiNi2 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(5)Li2TiNi2 square pyramid,  an edgeedge with one O(6)LiTiNi3 square pyramid, edges with two equivalent O(4)Li3Ti2 square pyramids, and edges with two equivalent O(1)LiTiNi3 square pyramids. The corner-sharing octahedral tilt angles range from 3-9°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ni(2), and one Ni(4) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(5)Li2TiNi2 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(2)Li4TiNi octahedra,  an edgeedge with one O(10)Li3TiNi square pyramid,  an edgeedge with one O(9)LiTiNi3 square pyramid, edges with two equivalent O(4)Li3Ti2 square pyramids, edges with two equivalent O(1)LiTiNi3 square pyramids, and edges with two equivalent O(6)LiTiNi3 square pyramids. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), and two equivalent Ti(1) atoms to form OLi3Ti2 square pyramids that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(10)Li3TiNi square pyramid,  a cornercorner with one O(6)LiTiNi3 square pyramid, corners with two equivalent O(5)Li2TiNi2 square pyramids, corners with two equivalent O(1)LiTiNi3 square pyramids,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(3)Li3TiNi2 octahedra, edges with two equivalent O(2)Li4TiNi octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid, and  an edgeedge with one O(10)Li3TiNi square pyramid. The corner-sharing octahedral tilt angles range from 2-6°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Ti(2), one Ni(1), and one Ni(3) atom to form OLi2TiNi2 square pyramids that share  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(5)Li2TiNi2 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid, corners with two equivalent O(4)Li3Ti2 square pyramids, corners with two equivalent O(10)Li3TiNi square pyramids, corners with two equivalent O(1)LiTiNi3 square pyramids,  an edgeedge with one O(2)Li4TiNi octahedra, edges with two equivalent O(8)Li2TiNi3 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(10)Li3TiNi square pyramid,  an edgeedge with one O(6)LiTiNi3 square pyramid, and  an edgeedge with one O(9)LiTiNi3 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the sixth O site, O(6) is bonded to one Li(1), one Ti(2), one Ni(1), one Ni(2), and one Ni(4) atom to form OLiTiNi3 square pyramids that share  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(6)LiTiNi3 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid, corners with two equivalent O(10)Li3TiNi square pyramids, corners with two equivalent O(1)LiTiNi3 square pyramids,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra,  an edgeedge with one O(2)Li4TiNi octahedra, edges with two equivalent O(3)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li2TiNi2 square pyramid,  an edgeedge with one O(1)LiTiNi3 square pyramid, and  an edgeedge with one O(9)LiTiNi3 square pyramid. The corner-sharing octahedral tilt angles range from 4-14°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent Ti(2) atoms to form OLi4Ti2 octahedra that share  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiNi square pyramid,  a cornercorner with one O(1)LiTiNi3 square pyramid,  a cornercorner with one O(6)LiTiNi3 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(2)Li4TiNi octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(6)LiTiNi3 square pyramid,  an edgeedge with one O(9)LiTiNi3 square pyramid, edges with two equivalent O(5)Li2TiNi2 square pyramids, and edges with two equivalent O(10)Li3TiNi square pyramids. The corner-sharing octahedral tilt angles are 9°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Ti(1), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi2TiNi3 octahedra that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(10)Li3TiNi square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra,  an edgeedge with one O(2)Li4TiNi octahedra,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(10)Li3TiNi square pyramid,  an edgeedge with one O(6)LiTiNi3 square pyramid, edges with two equivalent O(5)Li2TiNi2 square pyramids, edges with two equivalent O(1)LiTiNi3 square pyramids, and edges with two equivalent O(9)LiTiNi3 square pyramids. The corner-sharing octahedral tilt angles range from 0-5°. In the ninth O site, O(9) is bonded to one Li(2), one Ti(2), one Ni(3), and two equivalent Ni(4) atoms to form OLiTiNi3 square pyramids that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(5)Li2TiNi2 square pyramid,  a cornercorner with one O(10)Li3TiNi square pyramid,  a cornercorner with one O(1)LiTiNi3 square pyramid,  a cornercorner with one O(6)LiTiNi3 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li4Ti2 octahedra, edges with two equivalent O(8)Li2TiNi3 octahedra,  an edgeedge with one O(5)Li2TiNi2 square pyramid,  an edgeedge with one O(10)Li3TiNi square pyramid,  an edgeedge with one O(6)LiTiNi3 square pyramid, and  an edgeedge with one O(9)LiTiNi3 square pyramid. The corner-sharing octahedral tilt angles range from 2-12°. In the tenth O site, O(10) is bonded to one Li(3), two equivalent Li(4), one Ti(2), and one Ni(4) atom to form OLi3TiNi square pyramids that share  a cornercorner with one O(8)Li2TiNi3 octahedra,  a cornercorner with one O(7)Li4Ti2 octahedra,  a cornercorner with one O(2)Li4TiNi octahedra,  a cornercorner with one O(4)Li3Ti2 square pyramid,  a cornercorner with one O(9)LiTiNi3 square pyramid, corners with two equivalent O(5)Li2TiNi2 square pyramids, corners with two equivalent O(6)LiTiNi3 square pyramids,  an edgeedge with one O(8)Li2TiNi3 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra, edges with two equivalent O(7)Li4Ti2 octahedra,  an edgeedge with one O(5)Li2TiNi2 square pyramid,  an edgeedge with one O(4)Li3Ti2 square pyramid,  an edgeedge with one O(10)Li3TiNi square pyramid, and  an edgeedge with one O(9)LiTiNi3 square pyramid. The corner-sharing octahedral tilt angles range from 0-9°.