The material structure described by Li3Ti2Co3O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. Ti(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the second Co site, Co(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ti(1), one Co(1), and two equivalent Co(2) atoms to form OLiTiCo3 square pyramids that share  a cornercorner with one O(1)LiTiCo3 square pyramid, corners with two equivalent O(2)Li3Ti2 square pyramids, corners with three equivalent O(5)Li3TiCo square pyramids,  an edgeedge with one O(2)Li3Ti2 square pyramid,  an edgeedge with one O(5)Li3TiCo square pyramid,  an edgeedge with one O(1)LiTiCo3 square pyramid, and edges with three equivalent O(4)Li2TiCo2 square pyramids. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), and two equivalent Ti(1) atoms to form OLi3Ti2 square pyramids that share  a cornercorner with one O(2)Li3Ti2 square pyramid, corners with two equivalent O(4)Li2TiCo2 square pyramids, corners with two equivalent O(5)Li3TiCo square pyramids, corners with two equivalent O(1)LiTiCo3 square pyramids,  an edgeedge with one O(1)LiTiCo3 square pyramid, edges with two equivalent O(4)Li2TiCo2 square pyramids, edges with two equivalent O(2)Li3Ti2 square pyramids, and edges with three equivalent O(5)Li3TiCo square pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Ti(1), one Co(1), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ti(1), one Co(1), and one Co(2) atom to form OLi2TiCo2 square pyramids that share corners with two equivalent O(4)Li2TiCo2 square pyramids, corners with two equivalent O(2)Li3Ti2 square pyramids, corners with two equivalent O(5)Li3TiCo square pyramids, edges with two equivalent O(2)Li3Ti2 square pyramids, edges with two equivalent O(5)Li3TiCo square pyramids, and edges with three equivalent O(1)LiTiCo3 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), one Ti(1), and one Co(2) atom to form OLi3TiCo square pyramids that share  a cornercorner with one O(5)Li3TiCo square pyramid, corners with two equivalent O(4)Li2TiCo2 square pyramids, corners with two equivalent O(2)Li3Ti2 square pyramids, corners with three equivalent O(1)LiTiCo3 square pyramids,  an edgeedge with one O(5)Li3TiCo square pyramid,  an edgeedge with one O(1)LiTiCo3 square pyramid, edges with two equivalent O(4)Li2TiCo2 square pyramids, and edges with three equivalent O(2)Li3Ti2 square pyramids. is represented by the CIF card [CIF]
data_Li3Ti2Co3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.026
_cell_length_b   5.237
_cell_length_c   7.712
_cell_angle_alpha   73.876
_cell_angle_beta   74.704
_cell_angle_gamma   81.172
_symmetry_Int_Tables_number   1
_cell_volume   187.350
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.512  0.775  0.398  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.488  0.225  0.602  1.0
  Ti  Ti3  1  0.027  0.875  0.688  1.0
  Ti  Ti4  1  0.973  0.125  0.312  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  Co  Co6  1  0.985  0.310  0.893  1.0
  Co  Co7  1  0.015  0.690  0.107  1.0
  O  O8  1  0.244  0.974  0.849  1.0
  O  O9  1  0.784  0.880  0.528  1.0
  O  O10  1  0.797  0.680  0.935  1.0
  O  O11  1  0.245  0.795  0.225  1.0
  O  O12  1  0.217  0.554  0.659  1.0
  O  O13  1  0.783  0.446  0.341  1.0
  O  O14  1  0.755  0.205  0.775  1.0
  O  O15  1  0.203  0.320  0.065  1.0
  O  O16  1  0.216  0.120  0.472  1.0
  O  O17  1  0.756  0.026  0.151  1.0
[/CIF]
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The material structure described by Li3Ti2Co3O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. Ti(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the second Co site, Co(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ti(1), one Co(1), and two equivalent Co(2) atoms to form OLiTiCo3 square pyramids that share  a cornercorner with one O(1)LiTiCo3 square pyramid, corners with two equivalent O(2)Li3Ti2 square pyramids, corners with three equivalent O(5)Li3TiCo square pyramids,  an edgeedge with one O(2)Li3Ti2 square pyramid,  an edgeedge with one O(5)Li3TiCo square pyramid,  an edgeedge with one O(1)LiTiCo3 square pyramid, and edges with three equivalent O(4)Li2TiCo2 square pyramids. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), and two equivalent Ti(1) atoms to form OLi3Ti2 square pyramids that share  a cornercorner with one O(2)Li3Ti2 square pyramid, corners with two equivalent O(4)Li2TiCo2 square pyramids, corners with two equivalent O(5)Li3TiCo square pyramids, corners with two equivalent O(1)LiTiCo3 square pyramids,  an edgeedge with one O(1)LiTiCo3 square pyramid, edges with two equivalent O(4)Li2TiCo2 square pyramids, edges with two equivalent O(2)Li3Ti2 square pyramids, and edges with three equivalent O(5)Li3TiCo square pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Ti(1), one Co(1), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ti(1), one Co(1), and one Co(2) atom to form OLi2TiCo2 square pyramids that share corners with two equivalent O(4)Li2TiCo2 square pyramids, corners with two equivalent O(2)Li3Ti2 square pyramids, corners with two equivalent O(5)Li3TiCo square pyramids, edges with two equivalent O(2)Li3Ti2 square pyramids, edges with two equivalent O(5)Li3TiCo square pyramids, and edges with three equivalent O(1)LiTiCo3 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), one Ti(1), and one Co(2) atom to form OLi3TiCo square pyramids that share  a cornercorner with one O(5)Li3TiCo square pyramid, corners with two equivalent O(4)Li2TiCo2 square pyramids, corners with two equivalent O(2)Li3Ti2 square pyramids, corners with three equivalent O(1)LiTiCo3 square pyramids,  an edgeedge with one O(5)Li3TiCo square pyramid,  an edgeedge with one O(1)LiTiCo3 square pyramid, edges with two equivalent O(4)Li2TiCo2 square pyramids, and edges with three equivalent O(2)Li3Ti2 square pyramids. is represented by the CIF card [CIF]
data_Li3Ti2Co3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.026
_cell_length_b   5.237
_cell_length_c   7.712
_cell_angle_alpha   73.876
_cell_angle_beta   74.704
_cell_angle_gamma   81.172
_symmetry_Int_Tables_number   1
_cell_volume   187.350
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.512  0.775  0.398  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.488  0.225  0.602  1.0
  Ti  Ti3  1  0.027  0.875  0.688  1.0
  Ti  Ti4  1  0.973  0.125  0.312  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  Co  Co6  1  0.985  0.310  0.893  1.0
  Co  Co7  1  0.015  0.690  0.107  1.0
  O  O8  1  0.244  0.974  0.849  1.0
  O  O9  1  0.784  0.880  0.528  1.0
  O  O10  1  0.797  0.680  0.935  1.0
  O  O11  1  0.245  0.795  0.225  1.0
  O  O12  1  0.217  0.554  0.659  1.0
  O  O13  1  0.783  0.446  0.341  1.0
  O  O14  1  0.755  0.205  0.775  1.0
  O  O15  1  0.203  0.320  0.065  1.0
  O  O16  1  0.216  0.120  0.472  1.0
  O  O17  1  0.756  0.026  0.151  1.0
[/CIF]
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