The material described by Li4TiCo3O8 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. Ti(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form TiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Ti(1), and one Co(1) atom to form OLi2TiCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, corners with two equivalent O(6)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Ti(1), and one Co(2) atom to form OLi2TiCo tetrahedra that share corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(6)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Co(1), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(6)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Co(2), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, corners with two equivalent O(6)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Co(2), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, and corners with two equivalent O(6)Li2TiCo tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Ti(1), and one Co(2) atom to form OLi2TiCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Co(1), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Ti(1), and one Co(1) atom to form OLi2TiCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, and corners with two equivalent O(6)Li2TiCo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4TiCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   5.563
_cell_length_c   6.461
_cell_angle_alpha   89.785
_cell_angle_beta   89.567
_cell_angle_gamma   89.628
_symmetry_Int_Tables_number   1
_cell_volume   183.287
_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  0.004  0.916  0.621  1.0
  Li  Li1  1  0.505  0.578  0.125  1.0
  Li  Li2  1  0.002  0.421  0.876  1.0
  Li  Li3  1  0.507  0.087  0.375  1.0
  Ti  Ti4  1  0.501  0.081  0.877  1.0
  Co  Co5  1  0.011  0.911  0.139  1.0
  Co  Co6  1  0.503  0.581  0.622  1.0
  Co  Co7  1  0.990  0.426  0.383  1.0
  O  O8  1  0.631  0.926  0.108  1.0
  O  O9  1  0.608  0.924  0.641  1.0
  O  O10  1  0.107  0.594  0.132  1.0
  O  O11  1  0.119  0.574  0.612  1.0
  O  O12  1  0.632  0.421  0.372  1.0
  O  O13  1  0.607  0.394  0.871  1.0
  O  O14  1  0.109  0.094  0.360  1.0
  O  O15  1  0.137  0.072  0.888  1.0
[/CIF]
.
The material described by Li4TiCo3O8 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. Ti(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form TiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form CoO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Ti(1), and one Co(1) atom to form OLi2TiCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, corners with two equivalent O(6)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Ti(1), and one Co(2) atom to form OLi2TiCo tetrahedra that share corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(6)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Co(1), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(6)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Co(2), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, corners with two equivalent O(6)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Co(2), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, and corners with two equivalent O(6)Li2TiCo tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Ti(1), and one Co(2) atom to form OLi2TiCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Co(1), and one Co(3) atom to form OLi2Co2 tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(5)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, and corners with two equivalent O(8)Li2TiCo tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Ti(1), and one Co(1) atom to form OLi2TiCo tetrahedra that share corners with two equivalent O(3)Li2Co2 tetrahedra, corners with two equivalent O(4)Li2Co2 tetrahedra, corners with two equivalent O(7)Li2Co2 tetrahedra, corners with two equivalent O(1)Li2TiCo tetrahedra, corners with two equivalent O(2)Li2TiCo tetrahedra, and corners with two equivalent O(6)Li2TiCo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4TiCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   5.563
_cell_length_c   6.461
_cell_angle_alpha   89.785
_cell_angle_beta   89.567
_cell_angle_gamma   89.628
_symmetry_Int_Tables_number   1
_cell_volume   183.287
_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  0.004  0.916  0.621  1.0
  Li  Li1  1  0.505  0.578  0.125  1.0
  Li  Li2  1  0.002  0.421  0.876  1.0
  Li  Li3  1  0.507  0.087  0.375  1.0
  Ti  Ti4  1  0.501  0.081  0.877  1.0
  Co  Co5  1  0.011  0.911  0.139  1.0
  Co  Co6  1  0.503  0.581  0.622  1.0
  Co  Co7  1  0.990  0.426  0.383  1.0
  O  O8  1  0.631  0.926  0.108  1.0
  O  O9  1  0.608  0.924  0.641  1.0
  O  O10  1  0.107  0.594  0.132  1.0
  O  O11  1  0.119  0.574  0.612  1.0
  O  O12  1  0.632  0.421  0.372  1.0
  O  O13  1  0.607  0.394  0.871  1.0
  O  O14  1  0.109  0.094  0.360  1.0
  O  O15  1  0.137  0.072  0.888  1.0
[/CIF]
.