The structure described by Li3Ti(NiO3)2 is Caswellsilverite-derived structured and 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(11), one O(12), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with four equivalent Ti(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 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(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(12), one O(6), 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(3)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one 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(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Li site, Li(3) 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 Ti(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with four 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 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(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with four 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(5)O6 octahedra,  an edgeedge with one Li(6)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(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fifth Li site, Li(5) is bonded to one O(11), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with four 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(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(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the sixth Li site, Li(6) is bonded to one O(1), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with four equivalent Ni(2)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 Ti(1)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(5)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent 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 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(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one 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(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(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 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(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Ni site, Ni(2) is bonded to one O(3), one O(4), one O(5), 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(3)O6 octahedra, corners with four 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 Ti(1)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(5)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the third Ni site, Ni(3) is bonded to one O(1), one O(12), one O(2), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four 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(5)O6 octahedra,  an edgeedge with one Li(6)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(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with four 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(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(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(6), one Ti(1), one Ni(1), and one Ni(3) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(12)Li3Ti2Ni octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra, corners with four equivalent O(7)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Li(5), one Ti(2), one Ni(1), and one Ni(3) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(11)Li3Ti2Ni octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra, corners with four equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, and edges with two equivalent O(1)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third O site, O(3) is bonded to one Li(3), one Li(5), one Li(6), one Ti(1), one Ni(2), and one Ni(4) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(9)Li3Ti2Ni octahedra,  a cornercorner with one O(1)Li3TiNi2 octahedra, corners with four equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, and edges with two equivalent O(4)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to one Li(4), one Li(5), one Li(6), one Ti(2), one Ni(2), and one Ni(4) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(10)Li3Ti2Ni octahedra,  a cornercorner with one O(2)Li3TiNi2 octahedra, corners with four equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(3)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one Li(6), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(11)Li3Ti2Ni octahedra, corners with four equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(3)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(6), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(7)Li3Ni3 octahedra,  a cornercorner with one O(12)Li3Ti2Ni octahedra, corners with four equivalent O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, and edges with two equivalent O(4)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ti2Ni octahedra, corners with four equivalent O(1)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra,  a cornercorner with one O(10)Li3Ti2Ni octahedra, corners with four equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, and edges with two equivalent O(1)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Ni(2) atom to form OLi3Ti2Ni octahedra that share  a cornercorner with one O(7)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra, corners with four equivalent O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(10)Li3Ti2Ni octahedra, and edges with two equivalent O(11)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(4), one Ti(1), one Ti(2), and one Ni(4) atom to form OLi3Ti2Ni octahedra that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra, corners with four equivalent O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(12)Li3Ti2Ni octahedra, and edges with two equivalent O(9)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Li(5), one Ti(1), one Ti(2), and one Ni(1) atom to form OLi3Ti2Ni octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra,  a cornercorner with one O(2)Li3TiNi2 octahedra, corners with four equivalent O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(12)Li3Ti2Ni octahedra, and edges with two equivalent O(9)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(6), one Ti(1), one Ti(2), and one Ni(3) atom to form OLi3Ti2Ni octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(1)Li3TiNi2 octahedra, corners with four equivalent O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(10)Li3Ti2Ni octahedra, and edges with two equivalent O(11)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF file [CIF]
data_Li3Ti(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.929
_cell_length_b   5.891
_cell_length_c   6.649
_cell_angle_alpha   102.850
_cell_angle_beta   102.713
_cell_angle_gamma   90.053
_symmetry_Int_Tables_number   1
_cell_volume   108.966
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.666  0.834  0.334  1.0
  Li  Li1  1  0.997  0.506  0.988  1.0
  Li  Li2  1  0.337  0.160  0.678  1.0
  Ni  Ni3  1  0.997  0.993  0.996  1.0
  Ni  Ni4  1  0.335  0.674  0.671  1.0
  O  O5  1  0.509  0.238  0.019  1.0
  O  O6  1  0.824  0.429  0.648  1.0
  O  O7  1  0.834  0.900  0.667  1.0
  O  O8  1  0.498  0.767  0.999  1.0
  O  O9  1  0.162  0.558  0.325  1.0
  O  O10  1  0.169  0.109  0.342  1.0
  Ti  Ti11  1  0.673  0.333  0.333  1.0
[/CIF]
.
The structure described by Li3Ti(NiO3)2 is Caswellsilverite-derived structured and 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(11), one O(12), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with four equivalent Ti(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 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(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(12), one O(6), 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(3)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one 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(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Li site, Li(3) 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 Ti(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with four 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 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(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with four 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(5)O6 octahedra,  an edgeedge with one Li(6)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(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fifth Li site, Li(5) is bonded to one O(11), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with four 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(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(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the sixth Li site, Li(6) is bonded to one O(1), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with four equivalent Ni(2)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 Ti(1)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(5)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four equivalent 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 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(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one 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(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with four equivalent Li(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 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(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second Ni site, Ni(2) is bonded to one O(3), one O(4), one O(5), 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(3)O6 octahedra, corners with four 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 Ti(1)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(5)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the third Ni site, Ni(3) is bonded to one O(1), one O(12), one O(2), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with four 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(5)O6 octahedra,  an edgeedge with one Li(6)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(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with four 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(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(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(6), one Ti(1), one Ni(1), and one Ni(3) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(12)Li3Ti2Ni octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra, corners with four equivalent O(7)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Li(5), one Ti(2), one Ni(1), and one Ni(3) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(11)Li3Ti2Ni octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra, corners with four equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, and edges with two equivalent O(1)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third O site, O(3) is bonded to one Li(3), one Li(5), one Li(6), one Ti(1), one Ni(2), and one Ni(4) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(9)Li3Ti2Ni octahedra,  a cornercorner with one O(1)Li3TiNi2 octahedra, corners with four equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, and edges with two equivalent O(4)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to one Li(4), one Li(5), one Li(6), one Ti(2), one Ni(2), and one Ni(4) atom to form OLi3TiNi2 octahedra that share  a cornercorner with one O(10)Li3Ti2Ni octahedra,  a cornercorner with one O(2)Li3TiNi2 octahedra, corners with four equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(3)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one Li(6), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(11)Li3Ti2Ni octahedra, corners with four equivalent O(4)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, and edges with two equivalent O(3)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(6), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(7)Li3Ni3 octahedra,  a cornercorner with one O(12)Li3Ti2Ni octahedra, corners with four equivalent O(3)Li3TiNi2 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, and edges with two equivalent O(4)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ti2Ni octahedra, corners with four equivalent O(1)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent O(2)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra,  a cornercorner with one O(10)Li3Ti2Ni octahedra, corners with four equivalent O(2)Li3TiNi2 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, and edges with two equivalent O(1)Li3TiNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Ni(2) atom to form OLi3Ti2Ni octahedra that share  a cornercorner with one O(7)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3TiNi2 octahedra, corners with four equivalent O(12)Li3Ti2Ni octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(10)Li3Ti2Ni octahedra, and edges with two equivalent O(11)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(4), one Ti(1), one Ti(2), and one Ni(4) atom to form OLi3Ti2Ni octahedra that share  a cornercorner with one O(8)Li3Ni3 octahedra,  a cornercorner with one O(4)Li3TiNi2 octahedra, corners with four equivalent O(11)Li3Ti2Ni octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(12)Li3Ti2Ni octahedra, and edges with two equivalent O(9)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Li(5), one Ti(1), one Ti(2), and one Ni(1) atom to form OLi3Ti2Ni octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra,  a cornercorner with one O(2)Li3TiNi2 octahedra, corners with four equivalent O(10)Li3Ti2Ni octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(12)Li3Ti2Ni octahedra, and edges with two equivalent O(9)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(6), one Ti(1), one Ti(2), and one Ni(3) atom to form OLi3Ti2Ni octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra,  a cornercorner with one O(1)Li3TiNi2 octahedra, corners with four equivalent O(9)Li3Ti2Ni octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(1)Li3TiNi2 octahedra,  an edgeedge with one O(2)Li3TiNi2 octahedra,  an edgeedge with one O(3)Li3TiNi2 octahedra,  an edgeedge with one O(4)Li3TiNi2 octahedra, edges with two equivalent O(10)Li3Ti2Ni octahedra, and edges with two equivalent O(11)Li3Ti2Ni octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF file [CIF]
data_Li3Ti(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.929
_cell_length_b   5.891
_cell_length_c   6.649
_cell_angle_alpha   102.850
_cell_angle_beta   102.713
_cell_angle_gamma   90.053
_symmetry_Int_Tables_number   1
_cell_volume   108.966
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.666  0.834  0.334  1.0
  Li  Li1  1  0.997  0.506  0.988  1.0
  Li  Li2  1  0.337  0.160  0.678  1.0
  Ni  Ni3  1  0.997  0.993  0.996  1.0
  Ni  Ni4  1  0.335  0.674  0.671  1.0
  O  O5  1  0.509  0.238  0.019  1.0
  O  O6  1  0.824  0.429  0.648  1.0
  O  O7  1  0.834  0.900  0.667  1.0
  O  O8  1  0.498  0.767  0.999  1.0
  O  O9  1  0.162  0.558  0.325  1.0
  O  O10  1  0.169  0.109  0.342  1.0
  Ti  Ti11  1  0.673  0.333  0.333  1.0
[/CIF]
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