The compound described by Li4TiCo5O12 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(15), one O(21), one O(23), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Co(10)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and  a faceface with one Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-52°. In the second Li site, Li(2) is bonded to one O(12), one O(16), one O(2), one O(22), one O(24), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(9)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and  a faceface with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-52°. In the third Li site, Li(3) is bonded to one O(13), one O(17), one O(19), one O(3), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(9)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with three equivalent Li(7)O6 octahedra, and  a faceface with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-52°. In the fourth Li site, Li(4) is bonded to one O(10), one O(14), one O(18), one O(20), one O(4), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Co(10)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and  a faceface with one Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-52°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(15), one O(21), one O(23), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and  a faceface with one Co(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-54°. In the sixth Li site, Li(6) is bonded to one O(12), one O(16), one O(2), one O(22), one O(24), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. In the seventh Li site, Li(7) is bonded to one O(13), one O(17), one O(19), one O(3), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and  a faceface with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. In the eighth Li site, Li(8) is bonded to one O(10), one O(14), one O(18), one O(20), one O(4), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and  a faceface with one Co(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, edges with three equivalent Co(4)O6 octahedra, and edges with three equivalent Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, edges with three equivalent Co(10)O6 octahedra, and edges with three equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. There are ten inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(18), one O(2), one O(20), one O(22), one O(24), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and edges with three equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the second Co site, Co(2) is bonded to one O(1), one O(17), one O(19), one O(21), one O(23), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Co(6)O6 octahedra, and edges with three equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the third Co site, Co(3) is bonded to one O(18), one O(2), one O(20), one O(22), one O(24), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Co site, Co(4) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Co(9)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the fifth Co site, Co(5) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, edges with three equivalent Co(10)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the sixth Co site, Co(6) is bonded to one O(1), one O(17), one O(19), one O(21), one O(23), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the seventh Co site, Co(7) is bonded to one O(18), one O(2), one O(20), one O(22), one O(24), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the eighth Co site, Co(8) is bonded to one O(1), one O(17), one O(19), one O(21), one O(23), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the ninth Co site, Co(9) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Co(4)O6 octahedra,  a faceface with one Li(6)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the tenth Co site, Co(10) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, edges with three equivalent Co(5)O6 octahedra,  a faceface with one Li(5)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(5), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid, corners with two equivalent O(11)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(15)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, edges with two equivalent O(21)Li2Co3 square pyramids, and edges with two equivalent O(23)Li2Co3 square pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(6), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(12)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(16)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(22)Li2Co3 square pyramids, and edges with two equivalent O(24)Li2Co3 square pyramids. In the third O site, O(3) is bonded to one Li(3), one Li(7), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid, corners with two equivalent O(13)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(9)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid, edges with two equivalent O(17)Li2Co3 square pyramids, edges with two equivalent O(19)Li2Co3 square pyramids, and  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(4), one Li(8), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid, corners with two equivalent O(10)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(14)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid, edges with two equivalent O(18)Li2Co3 square pyramids, and edges with two equivalent O(20)Li2Co3 square pyramids. In the fifth O site, O(5) is bonded to one Li(3), one Li(7), one Ti(1), one Co(4), and one Co(9) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(17)Li2Co3 square pyramids, corners with two equivalent O(19)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(13)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(16)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(9)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(16)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(13)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(9)Li2TiCo2 trigonal bipyramids. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(4), one Li(8), one Ti(2), one Co(10), and one Co(5) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one Ti(2), one Co(10), and one Co(5) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(2), one Li(6), one Ti(1), one Co(4), and one Co(9) atom. In the ninth O site, O(9) is bonded to one Li(3), one Li(7), one Ti(1), one Co(4), and one Co(9) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(19)Li2Co3 square pyramids, corners with two equivalent O(3)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(13)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(16)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(16)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(13)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(5)Li2TiCo2 trigonal bipyramids. In the tenth O site, O(10) is bonded to one Li(4), one Li(8), one Ti(2), one Co(10), and one Co(5) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(20)Li2Co3 square pyramids, corners with two equivalent O(4)Li2Co3 square pyramids,  a cornercorner with one O(11)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(14)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(15)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(15)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(14)Li2TiCo2 trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(5), one Ti(2), one Co(10), and one Co(5) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(1)Li2Co3 square pyramids, corners with two equivalent O(23)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(14)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(15)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(14)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(15)Li2TiCo2 trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(6), one Ti(1), one Co(4), and one Co(9) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(24)Li2Co3 square pyramids,  a cornercorner with one O(13)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(16)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(9)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(9)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(16)Li2TiCo2 trigonal bipyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(7), one Ti(1), one Co(4), and one Co(9) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(17)Li2Co3 square pyramids, corners with two equivalent O(3)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(16)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(9)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(16)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(5)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(9)Li2TiCo2 trigonal bipyramids. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(8), one Ti(2), one Co(10), and one Co(5) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(18)Li2Co3 square pyramids, corners with two equivalent O(4)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(11)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(15)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(15)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(10)Li2TiCo2 trigonal bipyramids. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(5), one Ti(2), one Co(10), and one Co(5) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(1)Li2Co3 square pyramids, corners with two equivalent O(21)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(11)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(14)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(14)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(11)Li2TiCo2 trigonal bipyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(6), one Ti(1), one Co(4), and one Co(9) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(22)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(13)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(9)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(9)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(12)Li2TiCo2 trigonal bipyramids. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(7), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid, corners with two equivalent O(13)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(5)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid, edges with two equivalent O(19)Li2Co3 square pyramids, edges with two equivalent O(3)Li2Co3 square pyramids, and  an edgeedge with one O(9)Li2TiCo2 trigonal bipyramid. In the eighteenth O site, O(18) is bonded to one Li(4), one Li(8), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(14)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid, edges with two equivalent O(20)Li2Co3 square pyramids, edges with two equivalent O(4)Li2Co3 square pyramids, and  an edgeedge with one O(10)Li2TiCo2 trigonal bipyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(7), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid, corners with two equivalent O(5)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(9)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid, edges with two equivalent O(17)Li2Co3 square pyramids, edges with two equivalent O(3)Li2Co3 square pyramids, and  an edgeedge with one O(13)Li2TiCo2 trigonal bipyramid. In the twentieth O site, O(20) is bonded to one Li(4), one Li(8), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(10)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid, edges with two equivalent O(18)Li2Co3 square pyramids, edges with two equivalent O(4)Li2Co3 square pyramids, and  an edgeedge with one O(14)Li2TiCo2 trigonal bipyramid. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(5), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid, corners with two equivalent O(15)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, edges with two equivalent O(23)Li2Co3 square pyramids, and  an edgeedge with one O(11)Li2TiCo2 trigonal bipyramid. In the twenty-second O site, O(22) is bonded to one Li(2), one Li(6), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(16)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(2)Li2Co3 square pyramids, edges with two equivalent O(24)Li2Co3 square pyramids, and  an edgeedge with one O(12)Li2TiCo2 trigonal bipyramid. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(5), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid, corners with two equivalent O(11)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, edges with two equivalent O(21)Li2Co3 square pyramids, and  an edgeedge with one O(15)Li2TiCo2 trigonal bipyramid. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(6), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(12)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(2)Li2Co3 square pyramids, edges with two equivalent O(22)Li2Co3 square pyramids, and  an edgeedge with one O(16)Li2TiCo2 trigonal bipyramid. is represented by the CIF file [CIF]
data_Li4TiCo5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.949
_cell_length_b   4.976
_cell_length_c   10.022
_cell_angle_alpha   93.755
_cell_angle_beta   94.375
_cell_angle_gamma   119.691
_symmetry_Int_Tables_number   1
_cell_volume   212.240
_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
  Co  Co0  1  0.169  0.829  0.500  1.0
  Co  Co1  1  0.836  0.160  0.500  1.0
  Co  Co2  1  0.327  0.677  0.000  1.0
  Co  Co3  1  0.503  0.493  0.500  1.0
  Co  Co4  1  0.661  0.344  0.000  1.0
  Li  Li5  1  0.234  0.577  0.747  1.0
  Li  Li6  1  0.426  0.768  0.253  1.0
  Li  Li7  1  0.578  0.224  0.741  1.0
  Li  Li8  1  0.771  0.418  0.258  1.0
  O  O9  1  0.212  0.202  0.599  1.0
  O  O10  1  0.793  0.787  0.401  1.0
  O  O11  1  0.370  0.385  0.105  1.0
  O  O12  1  0.618  0.637  0.895  1.0
  O  O13  1  0.053  0.725  0.117  1.0
  O  O14  1  0.279  0.953  0.885  1.0
  O  O15  1  0.684  0.039  0.102  1.0
  O  O16  1  0.963  0.321  0.899  1.0
  O  O17  1  0.131  0.472  0.398  1.0
  O  O18  1  0.496  0.128  0.392  1.0
  O  O19  1  0.526  0.869  0.603  1.0
  O  O20  1  0.867  0.500  0.606  1.0
  Ti  Ti21  1  0.005  0.993  0.000  1.0
[/CIF]
.
The compound described by Li4TiCo5O12 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(15), one O(21), one O(23), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Co(10)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and  a faceface with one Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-52°. In the second Li site, Li(2) is bonded to one O(12), one O(16), one O(2), one O(22), one O(24), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(9)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and  a faceface with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-52°. In the third Li site, Li(3) is bonded to one O(13), one O(17), one O(19), one O(3), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(9)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with three equivalent Li(7)O6 octahedra, and  a faceface with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-52°. In the fourth Li site, Li(4) is bonded to one O(10), one O(14), one O(18), one O(20), one O(4), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Co(10)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and  a faceface with one Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-52°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(15), one O(21), one O(23), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and  a faceface with one Co(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-54°. In the sixth Li site, Li(6) is bonded to one O(12), one O(16), one O(2), one O(22), one O(24), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and  a faceface with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. In the seventh Li site, Li(7) is bonded to one O(13), one O(17), one O(19), one O(3), one O(5), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra,  a cornercorner with one Co(8)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(8)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and  a faceface with one Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. In the eighth Li site, Li(8) is bonded to one O(10), one O(14), one O(18), one O(20), one O(4), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(7)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and  a faceface with one Co(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, edges with three equivalent Co(4)O6 octahedra, and edges with three equivalent Co(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, edges with three equivalent Co(10)O6 octahedra, and edges with three equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. There are ten inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(18), one O(2), one O(20), one O(22), one O(24), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and edges with three equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the second Co site, Co(2) is bonded to one O(1), one O(17), one O(19), one O(21), one O(23), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Co(6)O6 octahedra, and edges with three equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the third Co site, Co(3) is bonded to one O(18), one O(2), one O(20), one O(22), one O(24), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Co site, Co(4) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Co(9)O6 octahedra,  a faceface with one Li(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the fifth Co site, Co(5) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, edges with three equivalent Co(10)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the sixth Co site, Co(6) is bonded to one O(1), one O(17), one O(19), one O(21), one O(23), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the seventh Co site, Co(7) is bonded to one O(18), one O(2), one O(20), one O(22), one O(24), and one O(4) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the eighth Co site, Co(8) is bonded to one O(1), one O(17), one O(19), one O(21), one O(23), and one O(3) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the ninth Co site, Co(9) is bonded to one O(12), one O(13), one O(16), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Co(4)O6 octahedra,  a faceface with one Li(6)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the tenth Co site, Co(10) is bonded to one O(10), one O(11), one O(14), one O(15), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, edges with three equivalent Co(5)O6 octahedra,  a faceface with one Li(5)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(5), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid, corners with two equivalent O(11)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(15)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, edges with two equivalent O(21)Li2Co3 square pyramids, and edges with two equivalent O(23)Li2Co3 square pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(6), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(12)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(16)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(22)Li2Co3 square pyramids, and edges with two equivalent O(24)Li2Co3 square pyramids. In the third O site, O(3) is bonded to one Li(3), one Li(7), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid, corners with two equivalent O(13)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(9)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid, edges with two equivalent O(17)Li2Co3 square pyramids, edges with two equivalent O(19)Li2Co3 square pyramids, and  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(4), one Li(8), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid, corners with two equivalent O(10)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(14)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid, edges with two equivalent O(18)Li2Co3 square pyramids, and edges with two equivalent O(20)Li2Co3 square pyramids. In the fifth O site, O(5) is bonded to one Li(3), one Li(7), one Ti(1), one Co(4), and one Co(9) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(17)Li2Co3 square pyramids, corners with two equivalent O(19)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(13)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(16)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(9)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(3)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(16)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(13)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(9)Li2TiCo2 trigonal bipyramids. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(4), one Li(8), one Ti(2), one Co(10), and one Co(5) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one Ti(2), one Co(10), and one Co(5) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(2), one Li(6), one Ti(1), one Co(4), and one Co(9) atom. In the ninth O site, O(9) is bonded to one Li(3), one Li(7), one Ti(1), one Co(4), and one Co(9) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(19)Li2Co3 square pyramids, corners with two equivalent O(3)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(13)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(16)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(16)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(13)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(5)Li2TiCo2 trigonal bipyramids. In the tenth O site, O(10) is bonded to one Li(4), one Li(8), one Ti(2), one Co(10), and one Co(5) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(20)Li2Co3 square pyramids, corners with two equivalent O(4)Li2Co3 square pyramids,  a cornercorner with one O(11)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(14)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(15)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(15)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(14)Li2TiCo2 trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(5), one Ti(2), one Co(10), and one Co(5) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(1)Li2Co3 square pyramids, corners with two equivalent O(23)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(14)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(15)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(14)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(15)Li2TiCo2 trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(6), one Ti(1), one Co(4), and one Co(9) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(24)Li2Co3 square pyramids,  a cornercorner with one O(13)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(16)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(9)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(9)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(16)Li2TiCo2 trigonal bipyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(7), one Ti(1), one Co(4), and one Co(9) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(17)Li2Co3 square pyramids, corners with two equivalent O(3)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(16)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(9)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(16)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(5)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(9)Li2TiCo2 trigonal bipyramids. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(8), one Ti(2), one Co(10), and one Co(5) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(18)Li2Co3 square pyramids, corners with two equivalent O(4)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(11)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(15)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(15)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(10)Li2TiCo2 trigonal bipyramids. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(5), one Ti(2), one Co(10), and one Co(5) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(1)Li2Co3 square pyramids, corners with two equivalent O(21)Li2Co3 square pyramids,  a cornercorner with one O(10)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(11)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(14)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(23)Li2Co3 square pyramid,  an edgeedge with one O(10)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(14)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(11)Li2TiCo2 trigonal bipyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(6), one Ti(1), one Co(4), and one Co(9) atom to form distorted OLi2TiCo2 trigonal bipyramids that share corners with two equivalent O(2)Li2Co3 square pyramids, corners with two equivalent O(22)Li2Co3 square pyramids,  a cornercorner with one O(12)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(13)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(9)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(24)Li2Co3 square pyramid,  an edgeedge with one O(13)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(9)Li2TiCo2 trigonal bipyramid, and edges with two equivalent O(12)Li2TiCo2 trigonal bipyramids. In the seventeenth O site, O(17) is bonded to one Li(3), one Li(7), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid, corners with two equivalent O(13)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(5)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid, edges with two equivalent O(19)Li2Co3 square pyramids, edges with two equivalent O(3)Li2Co3 square pyramids, and  an edgeedge with one O(9)Li2TiCo2 trigonal bipyramid. In the eighteenth O site, O(18) is bonded to one Li(4), one Li(8), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(14)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid, edges with two equivalent O(20)Li2Co3 square pyramids, edges with two equivalent O(4)Li2Co3 square pyramids, and  an edgeedge with one O(10)Li2TiCo2 trigonal bipyramid. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(7), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid, corners with two equivalent O(5)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(9)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(21)Li2Co3 square pyramid,  an edgeedge with one O(23)Li2Co3 square pyramid, edges with two equivalent O(17)Li2Co3 square pyramids, edges with two equivalent O(3)Li2Co3 square pyramids, and  an edgeedge with one O(13)Li2TiCo2 trigonal bipyramid. In the twentieth O site, O(20) is bonded to one Li(4), one Li(8), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(10)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(22)Li2Co3 square pyramid,  an edgeedge with one O(24)Li2Co3 square pyramid, edges with two equivalent O(18)Li2Co3 square pyramids, edges with two equivalent O(4)Li2Co3 square pyramids, and  an edgeedge with one O(14)Li2TiCo2 trigonal bipyramid. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(5), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(23)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid, corners with two equivalent O(15)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, edges with two equivalent O(23)Li2Co3 square pyramids, and  an edgeedge with one O(11)Li2TiCo2 trigonal bipyramid. In the twenty-second O site, O(22) is bonded to one Li(2), one Li(6), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(24)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(16)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(2)Li2Co3 square pyramids, edges with two equivalent O(24)Li2Co3 square pyramids, and  an edgeedge with one O(12)Li2TiCo2 trigonal bipyramid. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(5), one Co(2), one Co(6), and one Co(8) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(17)Li2Co3 square pyramid,  a cornercorner with one O(19)Li2Co3 square pyramid,  a cornercorner with one O(21)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2Co3 square pyramid, corners with two equivalent O(11)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(17)Li2Co3 square pyramid,  an edgeedge with one O(19)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2Co3 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, edges with two equivalent O(21)Li2Co3 square pyramids, and  an edgeedge with one O(15)Li2TiCo2 trigonal bipyramid. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(6), one Co(1), one Co(3), and one Co(7) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(18)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(20)Li2Co3 square pyramid,  a cornercorner with one O(22)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2Co3 square pyramid, corners with two equivalent O(12)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(18)Li2Co3 square pyramid,  an edgeedge with one O(20)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2Co3 square pyramid, edges with two equivalent O(2)Li2Co3 square pyramids, edges with two equivalent O(22)Li2Co3 square pyramids, and  an edgeedge with one O(16)Li2TiCo2 trigonal bipyramid. is represented by the CIF file [CIF]
data_Li4TiCo5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.949
_cell_length_b   4.976
_cell_length_c   10.022
_cell_angle_alpha   93.755
_cell_angle_beta   94.375
_cell_angle_gamma   119.691
_symmetry_Int_Tables_number   1
_cell_volume   212.240
_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
  Co  Co0  1  0.169  0.829  0.500  1.0
  Co  Co1  1  0.836  0.160  0.500  1.0
  Co  Co2  1  0.327  0.677  0.000  1.0
  Co  Co3  1  0.503  0.493  0.500  1.0
  Co  Co4  1  0.661  0.344  0.000  1.0
  Li  Li5  1  0.234  0.577  0.747  1.0
  Li  Li6  1  0.426  0.768  0.253  1.0
  Li  Li7  1  0.578  0.224  0.741  1.0
  Li  Li8  1  0.771  0.418  0.258  1.0
  O  O9  1  0.212  0.202  0.599  1.0
  O  O10  1  0.793  0.787  0.401  1.0
  O  O11  1  0.370  0.385  0.105  1.0
  O  O12  1  0.618  0.637  0.895  1.0
  O  O13  1  0.053  0.725  0.117  1.0
  O  O14  1  0.279  0.953  0.885  1.0
  O  O15  1  0.684  0.039  0.102  1.0
  O  O16  1  0.963  0.321  0.899  1.0
  O  O17  1  0.131  0.472  0.398  1.0
  O  O18  1  0.496  0.128  0.392  1.0
  O  O19  1  0.526  0.869  0.603  1.0
  O  O20  1  0.867  0.500  0.606  1.0
  Ti  Ti21  1  0.005  0.993  0.000  1.0
[/CIF]
.