The compound described by Li4TiCo5O12 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(7)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and  a faceface with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-50°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and  a faceface with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-50°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), 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(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and  a faceface with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-50°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), 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(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and  a faceface with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-51°. Ti(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with three equivalent Co(7)O6 octahedra, and edges with three equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(11) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the second Co site, Co(2) is bonded to two equivalent O(12), two equivalent O(2), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the fourth Co site, Co(4) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the fifth Co site, Co(5) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the sixth Co site, Co(6) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(12) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the seventh Co site, Co(7) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Co(8)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. In the eighth Co site, Co(8) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Co(7)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Co(1), one Co(3), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2Co3 square pyramid,  a cornercorner with one O(9)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(6)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2Co3 square pyramid,  an edgeedge with one O(9)Li2Co3 square pyramid, edges with two equivalent O(10)Li2Co3 square pyramids, edges with two equivalent O(11)Li2Co3 square pyramids, and  an edgeedge with one O(3)Li2TiCo2 trigonal bipyramid. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Co(2), one Co(4), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(10)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(9)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(6)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(10)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid, edges with two equivalent O(12)Li2Co3 square pyramids, edges with two equivalent O(9)Li2Co3 square pyramids, and  an edgeedge with one O(4)Li2TiCo2 trigonal bipyramid. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(10)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2Co3 square pyramid,  a cornercorner with one O(9)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(5)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(8)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(8)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(6)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(7)Li2TiCo2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(10)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2Co3 square pyramid,  a cornercorner with one O(9)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(6)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(7)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(6)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(7)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(5)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(8)Li2TiCo2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(11)Li2Co3 square pyramids,  a cornercorner with one O(6)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(3)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(9)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(6)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(8)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(4)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(7)Li2TiCo2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(12)Li2Co3 square pyramids,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(4)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(10)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(7)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(3)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(8)Li2TiCo2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(9)Li2Co3 square pyramids,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(6)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(4)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(11)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(6)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(8)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(3)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(5)Li2TiCo2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(10)Li2Co3 square pyramids,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(6)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(3)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(12)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(7)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(4)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(6)Li2TiCo2 trigonal bipyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Co(2), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(9)Li2Co3 square pyramid, corners with two equivalent O(12)Li2Co3 square pyramids,  a cornercorner with one O(3)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(4)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(7)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(9)Li2Co3 square pyramid, edges with two equivalent O(2)Li2Co3 square pyramids, edges with three equivalent O(11)Li2Co3 square pyramids, and  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Co(1), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(11)Li2Co3 square pyramids,  a cornercorner with one O(3)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(4)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(8)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(10)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, edges with three equivalent O(12)Li2Co3 square pyramids, and  an edgeedge with one O(6)Li2TiCo2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Co(1), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(10)Li2Co3 square pyramids,  a cornercorner with one O(3)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(4)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(5)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(11)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, edges with three equivalent O(9)Li2Co3 square pyramids, and  an edgeedge with one O(7)Li2TiCo2 trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Co(2), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(9)Li2Co3 square pyramids,  a cornercorner with one O(3)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(4)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(6)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2Co3 square pyramid, edges with two equivalent O(2)Li2Co3 square pyramids, edges with three equivalent O(10)Li2Co3 square pyramids, and  an edgeedge with one O(8)Li2TiCo2 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4TiCo5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.904
_cell_length_b   4.904
_cell_length_c   9.977
_cell_angle_alpha   94.687
_cell_angle_beta   94.660
_cell_angle_gamma   119.958
_symmetry_Int_Tables_number   1
_cell_volume   205.079
_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  0.500  0.500  0.500  1.0
  Co  Co1  1  0.165  0.835  0.500  1.0
  Co  Co2  1  0.835  0.165  0.500  1.0
  Co  Co3  1  0.667  0.333  1.000  1.0
  Co  Co4  1  0.333  0.667  0.000  1.0
  Li  Li5  1  0.245  0.577  0.745  1.0
  Li  Li6  1  0.423  0.755  0.255  1.0
  Li  Li7  1  0.575  0.241  0.744  1.0
  Li  Li8  1  0.759  0.425  0.256  1.0
  O  O9  1  0.206  0.209  0.603  1.0
  O  O10  1  0.791  0.794  0.397  1.0
  O  O11  1  0.378  0.378  0.108  1.0
  O  O12  1  0.622  0.622  0.892  1.0
  O  O13  1  0.036  0.693  0.108  1.0
  O  O14  1  0.307  0.964  0.892  1.0
  O  O15  1  0.693  0.035  0.108  1.0
  O  O16  1  0.965  0.307  0.892  1.0
  O  O17  1  0.133  0.471  0.398  1.0
  O  O18  1  0.474  0.136  0.399  1.0
  O  O19  1  0.529  0.867  0.602  1.0
  O  O20  1  0.864  0.526  0.601  1.0
  Ti  Ti21  1  1.000  1.000  0.000  1.0
[/CIF]
.
The compound described by Li4TiCo5O12 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(7)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and  a faceface with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-50°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and  a faceface with one Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-50°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), 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(3)O6 octahedra,  a cornercorner with one Co(6)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and  a faceface with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-50°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), 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(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Co(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and  a faceface with one Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-51°. Ti(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with three equivalent Co(7)O6 octahedra, and edges with three equivalent Co(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(11) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the second Co site, Co(2) is bonded to two equivalent O(12), two equivalent O(2), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the fourth Co site, Co(4) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the fifth Co site, Co(5) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the sixth Co site, Co(6) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(12) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the seventh Co site, Co(7) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Co(8)O6 octahedra,  a faceface with one Li(3)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. In the eighth Co site, Co(8) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Co(7)O6 octahedra,  a faceface with one Li(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Co(1), one Co(3), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2Co3 square pyramid,  a cornercorner with one O(9)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(6)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2Co3 square pyramid,  an edgeedge with one O(9)Li2Co3 square pyramid, edges with two equivalent O(10)Li2Co3 square pyramids, edges with two equivalent O(11)Li2Co3 square pyramids, and  an edgeedge with one O(3)Li2TiCo2 trigonal bipyramid. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Co(2), one Co(4), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(10)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(9)Li2Co3 square pyramid,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(6)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(10)Li2Co3 square pyramid,  an edgeedge with one O(11)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid, edges with two equivalent O(12)Li2Co3 square pyramids, edges with two equivalent O(9)Li2Co3 square pyramids, and  an edgeedge with one O(4)Li2TiCo2 trigonal bipyramid. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(10)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2Co3 square pyramid,  a cornercorner with one O(9)Li2Co3 square pyramid,  a cornercorner with one O(4)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(5)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(8)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(8)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(6)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(7)Li2TiCo2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(10)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2Co3 square pyramid,  a cornercorner with one O(9)Li2Co3 square pyramid,  a cornercorner with one O(3)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(6)Li2TiCo2 trigonal bipyramids, corners with two equivalent O(7)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(2)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(6)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(7)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(5)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(8)Li2TiCo2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(11)Li2Co3 square pyramids,  a cornercorner with one O(6)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(3)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(9)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(6)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(8)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(4)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(7)Li2TiCo2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(12)Li2Co3 square pyramids,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(4)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(10)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(7)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(3)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(8)Li2TiCo2 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(9)Li2Co3 square pyramids,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(6)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(8)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(4)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(11)Li2Co3 square pyramid,  an edgeedge with one O(4)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(6)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(8)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(3)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(5)Li2TiCo2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Ti(1), one Co(7), and one Co(8) atom to form distorted OLi2TiCo2 trigonal bipyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(10)Li2Co3 square pyramids,  a cornercorner with one O(5)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(6)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(7)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(3)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(12)Li2Co3 square pyramid,  an edgeedge with one O(3)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid,  an edgeedge with one O(7)Li2TiCo2 trigonal bipyramid, edges with two equivalent O(4)Li2TiCo2 trigonal bipyramids, and edges with two equivalent O(6)Li2TiCo2 trigonal bipyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Co(2), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid,  a cornercorner with one O(9)Li2Co3 square pyramid, corners with two equivalent O(12)Li2Co3 square pyramids,  a cornercorner with one O(3)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(4)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(7)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(9)Li2Co3 square pyramid, edges with two equivalent O(2)Li2Co3 square pyramids, edges with three equivalent O(11)Li2Co3 square pyramids, and  an edgeedge with one O(5)Li2TiCo2 trigonal bipyramid. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Co(1), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(10)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(11)Li2Co3 square pyramids,  a cornercorner with one O(3)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(4)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(8)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(10)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, edges with three equivalent O(12)Li2Co3 square pyramids, and  an edgeedge with one O(6)Li2TiCo2 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Co(1), one Co(3), and one Co(5) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(11)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(10)Li2Co3 square pyramids,  a cornercorner with one O(3)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(4)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(5)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(11)Li2Co3 square pyramid,  an edgeedge with one O(2)Li2Co3 square pyramid, edges with two equivalent O(1)Li2Co3 square pyramids, edges with three equivalent O(9)Li2Co3 square pyramids, and  an edgeedge with one O(7)Li2TiCo2 trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Co(2), one Co(4), and one Co(6) atom to form OLi2Co3 square pyramids that share  a cornercorner with one O(1)Li2Co3 square pyramid,  a cornercorner with one O(12)Li2Co3 square pyramid,  a cornercorner with one O(2)Li2Co3 square pyramid, corners with two equivalent O(9)Li2Co3 square pyramids,  a cornercorner with one O(3)Li2TiCo2 trigonal bipyramid,  a cornercorner with one O(4)Li2TiCo2 trigonal bipyramid, corners with two equivalent O(6)Li2TiCo2 trigonal bipyramids,  an edgeedge with one O(1)Li2Co3 square pyramid,  an edgeedge with one O(12)Li2Co3 square pyramid, edges with two equivalent O(2)Li2Co3 square pyramids, edges with three equivalent O(10)Li2Co3 square pyramids, and  an edgeedge with one O(8)Li2TiCo2 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4TiCo5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.904
_cell_length_b   4.904
_cell_length_c   9.977
_cell_angle_alpha   94.687
_cell_angle_beta   94.660
_cell_angle_gamma   119.958
_symmetry_Int_Tables_number   1
_cell_volume   205.079
_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  0.500  0.500  0.500  1.0
  Co  Co1  1  0.165  0.835  0.500  1.0
  Co  Co2  1  0.835  0.165  0.500  1.0
  Co  Co3  1  0.667  0.333  1.000  1.0
  Co  Co4  1  0.333  0.667  0.000  1.0
  Li  Li5  1  0.245  0.577  0.745  1.0
  Li  Li6  1  0.423  0.755  0.255  1.0
  Li  Li7  1  0.575  0.241  0.744  1.0
  Li  Li8  1  0.759  0.425  0.256  1.0
  O  O9  1  0.206  0.209  0.603  1.0
  O  O10  1  0.791  0.794  0.397  1.0
  O  O11  1  0.378  0.378  0.108  1.0
  O  O12  1  0.622  0.622  0.892  1.0
  O  O13  1  0.036  0.693  0.108  1.0
  O  O14  1  0.307  0.964  0.892  1.0
  O  O15  1  0.693  0.035  0.108  1.0
  O  O16  1  0.965  0.307  0.892  1.0
  O  O17  1  0.133  0.471  0.398  1.0
  O  O18  1  0.474  0.136  0.399  1.0
  O  O19  1  0.529  0.867  0.602  1.0
  O  O20  1  0.864  0.526  0.601  1.0
  Ti  Ti21  1  1.000  1.000  0.000  1.0
[/CIF]
.