The material structure described by Li2CoTi3O8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Ti site, Ti(3) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Ti(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Co site, Co(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one Ti(4), and one Co(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Ti(1), and one Co(1) atom to form distorted OLiTi2Co tetrahedra that share corners with two equivalent O(6)LiTi2Co tetrahedra, corners with two equivalent O(4)LiTi3 tetrahedra,  a cornercorner with one O(10)LiTi3 trigonal pyramid, edges with two equivalent O(6)LiTi2Co tetrahedra, and  an edgeedge with one O(3)LiTi3 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Ti(2), and two equivalent Ti(1) atoms to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(12)LiTi2Co tetrahedra, corners with two equivalent O(9)LiTi2Co tetrahedra, corners with three equivalent O(4)LiTi3 tetrahedra,  an edgeedge with one O(2)LiTi2Co tetrahedra, and edges with two equivalent O(6)LiTi2Co tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Ti(2), and two equivalent Ti(1) atoms to form distorted OLiTi3 tetrahedra that share corners with two equivalent O(2)LiTi2Co tetrahedra, corners with four equivalent O(6)LiTi2Co tetrahedra, and corners with three equivalent O(3)LiTi3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(3), and two equivalent Ti(4) atoms to form distorted OLiTi3 tetrahedra that share corners with two equivalent O(12)LiTi2Co tetrahedra, corners with four equivalent O(9)LiTi2Co tetrahedra, and corners with three equivalent O(10)LiTi3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Ti(2), and one Co(1) atom to form distorted OLiTi2Co tetrahedra that share  a cornercorner with one O(2)LiTi2Co tetrahedra,  a cornercorner with one O(6)LiTi2Co tetrahedra, corners with two equivalent O(4)LiTi3 tetrahedra,  a cornercorner with one O(10)LiTi3 trigonal pyramid,  an edgeedge with one O(2)LiTi2Co tetrahedra,  an edgeedge with one O(6)LiTi2Co tetrahedra, and  an edgeedge with one O(3)LiTi3 trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Ti(4), and one Co(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Ti(3), one Ti(4), and one Co(2) atom to form distorted OLiTi2Co tetrahedra that share  a cornercorner with one O(12)LiTi2Co tetrahedra,  a cornercorner with one O(9)LiTi2Co tetrahedra, corners with two equivalent O(5)LiTi3 tetrahedra,  a cornercorner with one O(3)LiTi3 trigonal pyramid,  an edgeedge with one O(12)LiTi2Co tetrahedra,  an edgeedge with one O(9)LiTi2Co tetrahedra, and  an edgeedge with one O(10)LiTi3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), one Ti(3), and two equivalent Ti(4) atoms to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(2)LiTi2Co tetrahedra, corners with two equivalent O(6)LiTi2Co tetrahedra, corners with three equivalent O(5)LiTi3 tetrahedra,  an edgeedge with one O(12)LiTi2Co tetrahedra, and edges with two equivalent O(9)LiTi2Co tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Ti(2), and one Co(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Ti(4), and one Co(2) atom to form distorted OLiTi2Co tetrahedra that share corners with two equivalent O(9)LiTi2Co tetrahedra, corners with two equivalent O(5)LiTi3 tetrahedra,  a cornercorner with one O(3)LiTi3 trigonal pyramid, edges with two equivalent O(9)LiTi2Co tetrahedra, and  an edgeedge with one O(10)LiTi3 trigonal pyramid. is represented by the CIF card [CIF]
data_Li2Ti3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.943
_cell_length_b   5.944
_cell_length_c   9.762
_cell_angle_alpha   89.996
_cell_angle_beta   90.024
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   298.641
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.333  0.667  0.890  1.0
  Li  Li1  1  0.000  1.000  0.999  1.0
  Li  Li2  1  1.000  1.000  0.499  1.0
  Li  Li3  1  0.667  0.333  0.390  1.0
  Ti  Ti4  1  0.169  0.832  0.216  1.0
  Ti  Ti5  1  0.169  0.338  0.216  1.0
  Ti  Ti6  1  0.663  0.831  0.215  1.0
  Ti  Ti7  1  0.338  0.169  0.715  1.0
  Ti  Ti8  1  0.831  0.663  0.715  1.0
  Ti  Ti9  1  0.831  0.169  0.716  1.0
  Co  Co10  1  0.330  0.664  0.492  1.0
  Co  Co11  1  0.667  0.333  0.995  1.0
  O  O12  1  0.158  0.842  0.607  1.0
  O  O13  1  0.036  0.518  0.329  1.0
  O  O14  1  0.333  0.667  0.105  1.0
  O  O15  1  1.000  0.000  0.315  1.0
  O  O16  1  0.000  0.000  0.815  1.0
  O  O17  1  0.159  0.317  0.607  1.0
  O  O18  1  0.482  0.965  0.328  1.0
  O  O19  1  0.482  0.518  0.328  1.0
  O  O20  1  0.316  0.158  0.107  1.0
  O  O21  1  0.684  0.842  0.607  1.0
  O  O22  1  0.518  0.483  0.828  1.0
  O  O23  1  0.518  0.035  0.828  1.0
  O  O24  1  0.667  0.333  0.604  1.0
  O  O25  1  0.842  0.684  0.107  1.0
  O  O26  1  0.965  0.483  0.828  1.0
  O  O27  1  0.842  0.158  0.107  1.0
[/CIF]
.
The material structure described by Li2CoTi3O8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Ti site, Ti(3) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with four equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Ti(4)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Co site, Co(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one Ti(4), and one Co(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Ti(1), and one Co(1) atom to form distorted OLiTi2Co tetrahedra that share corners with two equivalent O(6)LiTi2Co tetrahedra, corners with two equivalent O(4)LiTi3 tetrahedra,  a cornercorner with one O(10)LiTi3 trigonal pyramid, edges with two equivalent O(6)LiTi2Co tetrahedra, and  an edgeedge with one O(3)LiTi3 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Ti(2), and two equivalent Ti(1) atoms to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(12)LiTi2Co tetrahedra, corners with two equivalent O(9)LiTi2Co tetrahedra, corners with three equivalent O(4)LiTi3 tetrahedra,  an edgeedge with one O(2)LiTi2Co tetrahedra, and edges with two equivalent O(6)LiTi2Co tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Ti(2), and two equivalent Ti(1) atoms to form distorted OLiTi3 tetrahedra that share corners with two equivalent O(2)LiTi2Co tetrahedra, corners with four equivalent O(6)LiTi2Co tetrahedra, and corners with three equivalent O(3)LiTi3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Ti(3), and two equivalent Ti(4) atoms to form distorted OLiTi3 tetrahedra that share corners with two equivalent O(12)LiTi2Co tetrahedra, corners with four equivalent O(9)LiTi2Co tetrahedra, and corners with three equivalent O(10)LiTi3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Ti(2), and one Co(1) atom to form distorted OLiTi2Co tetrahedra that share  a cornercorner with one O(2)LiTi2Co tetrahedra,  a cornercorner with one O(6)LiTi2Co tetrahedra, corners with two equivalent O(4)LiTi3 tetrahedra,  a cornercorner with one O(10)LiTi3 trigonal pyramid,  an edgeedge with one O(2)LiTi2Co tetrahedra,  an edgeedge with one O(6)LiTi2Co tetrahedra, and  an edgeedge with one O(3)LiTi3 trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Ti(4), and one Co(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Ti(3), one Ti(4), and one Co(2) atom to form distorted OLiTi2Co tetrahedra that share  a cornercorner with one O(12)LiTi2Co tetrahedra,  a cornercorner with one O(9)LiTi2Co tetrahedra, corners with two equivalent O(5)LiTi3 tetrahedra,  a cornercorner with one O(3)LiTi3 trigonal pyramid,  an edgeedge with one O(12)LiTi2Co tetrahedra,  an edgeedge with one O(9)LiTi2Co tetrahedra, and  an edgeedge with one O(10)LiTi3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), one Ti(3), and two equivalent Ti(4) atoms to form distorted OLiTi3 trigonal pyramids that share  a cornercorner with one O(2)LiTi2Co tetrahedra, corners with two equivalent O(6)LiTi2Co tetrahedra, corners with three equivalent O(5)LiTi3 tetrahedra,  an edgeedge with one O(12)LiTi2Co tetrahedra, and edges with two equivalent O(9)LiTi2Co tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Ti(2), and one Co(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Ti(4), and one Co(2) atom to form distorted OLiTi2Co tetrahedra that share corners with two equivalent O(9)LiTi2Co tetrahedra, corners with two equivalent O(5)LiTi3 tetrahedra,  a cornercorner with one O(3)LiTi3 trigonal pyramid, edges with two equivalent O(9)LiTi2Co tetrahedra, and  an edgeedge with one O(10)LiTi3 trigonal pyramid. is represented by the CIF card [CIF]
data_Li2Ti3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.943
_cell_length_b   5.944
_cell_length_c   9.762
_cell_angle_alpha   89.996
_cell_angle_beta   90.024
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   298.641
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.333  0.667  0.890  1.0
  Li  Li1  1  0.000  1.000  0.999  1.0
  Li  Li2  1  1.000  1.000  0.499  1.0
  Li  Li3  1  0.667  0.333  0.390  1.0
  Ti  Ti4  1  0.169  0.832  0.216  1.0
  Ti  Ti5  1  0.169  0.338  0.216  1.0
  Ti  Ti6  1  0.663  0.831  0.215  1.0
  Ti  Ti7  1  0.338  0.169  0.715  1.0
  Ti  Ti8  1  0.831  0.663  0.715  1.0
  Ti  Ti9  1  0.831  0.169  0.716  1.0
  Co  Co10  1  0.330  0.664  0.492  1.0
  Co  Co11  1  0.667  0.333  0.995  1.0
  O  O12  1  0.158  0.842  0.607  1.0
  O  O13  1  0.036  0.518  0.329  1.0
  O  O14  1  0.333  0.667  0.105  1.0
  O  O15  1  1.000  0.000  0.315  1.0
  O  O16  1  0.000  0.000  0.815  1.0
  O  O17  1  0.159  0.317  0.607  1.0
  O  O18  1  0.482  0.965  0.328  1.0
  O  O19  1  0.482  0.518  0.328  1.0
  O  O20  1  0.316  0.158  0.107  1.0
  O  O21  1  0.684  0.842  0.607  1.0
  O  O22  1  0.518  0.483  0.828  1.0
  O  O23  1  0.518  0.035  0.828  1.0
  O  O24  1  0.667  0.333  0.604  1.0
  O  O25  1  0.842  0.684  0.107  1.0
  O  O26  1  0.965  0.483  0.828  1.0
  O  O27  1  0.842  0.158  0.107  1.0
[/CIF]
.