The crystal structure described by Li2TiCo2O5 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Ti(1), one Co(1), and one Co(2) atom to form OLi3TiCo2 octahedra that share corners with two equivalent O(3)Li2TiCo3 octahedra, corners with four equivalent O(1)Li3TiCo2 octahedra, edges with three equivalent O(1)Li3TiCo2 octahedra, edges with four equivalent O(2)Li2Ti2Co2 octahedra, and edges with five equivalent O(3)Li2TiCo3 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ti(1), and two equivalent Co(1) atoms to form OLi2Ti2Co2 octahedra that share corners with two equivalent O(2)Li2Ti2Co2 octahedra, corners with four equivalent O(3)Li2TiCo3 octahedra, edges with two equivalent O(2)Li2Ti2Co2 octahedra, edges with two equivalent O(3)Li2TiCo3 octahedra, and edges with eight equivalent O(1)Li3TiCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to two equivalent Li(2), one Ti(1), one Co(1), and two equivalent Co(2) atoms to form OLi2TiCo3 octahedra that share corners with two equivalent O(2)Li2Ti2Co2 octahedra, corners with two equivalent O(3)Li2TiCo3 octahedra, corners with two equivalent O(1)Li3TiCo2 octahedra,  an edgeedge with one O(2)Li2Ti2Co2 octahedra, edges with five equivalent O(1)Li3TiCo2 octahedra, and edges with six equivalent O(3)Li2TiCo3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiCo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.908
_cell_length_b   7.908
_cell_length_c   5.116
_cell_angle_alpha   84.189
_cell_angle_beta   84.189
_cell_angle_gamma   142.532
_symmetry_Int_Tables_number   1
_cell_volume   184.673
_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  0.750  0.250  0.750  1.0
  Li  Li1  1  0.552  0.448  0.750  1.0
  Li  Li2  1  0.250  0.750  0.250  1.0
  Li  Li3  1  0.448  0.552  0.250  1.0
  Ti  Ti4  1  0.648  0.352  0.250  1.0
  Ti  Ti5  1  0.352  0.648  0.750  1.0
  Co  Co6  1  0.152  0.848  0.750  1.0
  Co  Co7  1  0.951  0.049  0.750  1.0
  Co  Co8  1  0.848  0.152  0.250  1.0
  Co  Co9  1  0.049  0.951  0.250  1.0
  O  O10  1  0.588  0.886  0.983  1.0
  O  O11  1  0.886  0.588  0.483  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.684  0.796  0.510  1.0
  O  O14  1  0.796  0.684  0.010  1.0
  O  O15  1  0.412  0.114  0.017  1.0
  O  O16  1  0.204  0.316  0.990  1.0
  O  O17  1  0.114  0.412  0.517  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.316  0.204  0.490  1.0
[/CIF]
.
The crystal structure described by Li2TiCo2O5 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Ti(1), one Co(1), and one Co(2) atom to form OLi3TiCo2 octahedra that share corners with two equivalent O(3)Li2TiCo3 octahedra, corners with four equivalent O(1)Li3TiCo2 octahedra, edges with three equivalent O(1)Li3TiCo2 octahedra, edges with four equivalent O(2)Li2Ti2Co2 octahedra, and edges with five equivalent O(3)Li2TiCo3 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Ti(1), and two equivalent Co(1) atoms to form OLi2Ti2Co2 octahedra that share corners with two equivalent O(2)Li2Ti2Co2 octahedra, corners with four equivalent O(3)Li2TiCo3 octahedra, edges with two equivalent O(2)Li2Ti2Co2 octahedra, edges with two equivalent O(3)Li2TiCo3 octahedra, and edges with eight equivalent O(1)Li3TiCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to two equivalent Li(2), one Ti(1), one Co(1), and two equivalent Co(2) atoms to form OLi2TiCo3 octahedra that share corners with two equivalent O(2)Li2Ti2Co2 octahedra, corners with two equivalent O(3)Li2TiCo3 octahedra, corners with two equivalent O(1)Li3TiCo2 octahedra,  an edgeedge with one O(2)Li2Ti2Co2 octahedra, edges with five equivalent O(1)Li3TiCo2 octahedra, and edges with six equivalent O(3)Li2TiCo3 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiCo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.908
_cell_length_b   7.908
_cell_length_c   5.116
_cell_angle_alpha   84.189
_cell_angle_beta   84.189
_cell_angle_gamma   142.532
_symmetry_Int_Tables_number   1
_cell_volume   184.673
_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  0.750  0.250  0.750  1.0
  Li  Li1  1  0.552  0.448  0.750  1.0
  Li  Li2  1  0.250  0.750  0.250  1.0
  Li  Li3  1  0.448  0.552  0.250  1.0
  Ti  Ti4  1  0.648  0.352  0.250  1.0
  Ti  Ti5  1  0.352  0.648  0.750  1.0
  Co  Co6  1  0.152  0.848  0.750  1.0
  Co  Co7  1  0.951  0.049  0.750  1.0
  Co  Co8  1  0.848  0.152  0.250  1.0
  Co  Co9  1  0.049  0.951  0.250  1.0
  O  O10  1  0.588  0.886  0.983  1.0
  O  O11  1  0.886  0.588  0.483  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.684  0.796  0.510  1.0
  O  O14  1  0.796  0.684  0.010  1.0
  O  O15  1  0.412  0.114  0.017  1.0
  O  O16  1  0.204  0.316  0.990  1.0
  O  O17  1  0.114  0.412  0.517  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.316  0.204  0.490  1.0
[/CIF]
.