The compound described by LiCoTiO4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. 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 six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. 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 six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Ti(1), and one Co(1) atom to form distorted OLiTi2Co trigonal pyramids that share corners with three equivalent O(2)LiTi2Co trigonal pyramids, corners with six equivalent O(3)LiTiCo2 trigonal pyramids, and edges with two equivalent O(3)LiTiCo2 trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Ti(1), one Co(1), and one Co(2) atom to form distorted OLiTiCo2 trigonal pyramids that share corners with three equivalent O(2)LiTi2Co trigonal pyramids, corners with six equivalent O(3)LiTiCo2 trigonal pyramids,  an edgeedge with one O(2)LiTi2Co trigonal pyramid, and  an edgeedge with one O(3)LiTiCo2 trigonal pyramid. is represented by the CIF file [CIF]
data_LiTiCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   5.964
_cell_length_c   5.983
_cell_angle_alpha   121.635
_cell_angle_beta   60.383
_cell_angle_gamma   119.738
_symmetry_Int_Tables_number   1
_cell_volume   148.009
_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  0.121  0.875  0.633  1.0
  Li  Li1  1  0.879  0.125  0.367  1.0
  Ti  Ti2  1  0.500  0.500  0.000  1.0
  Ti  Ti3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.754  0.284  0.776  1.0
  O  O7  1  0.741  0.717  0.235  1.0
  O  O8  1  0.259  0.283  0.765  1.0
  O  O9  1  0.246  0.716  0.224  1.0
  O  O10  1  0.741  0.259  0.224  1.0
  O  O11  1  0.294  0.259  0.224  1.0
  O  O12  1  0.706  0.741  0.776  1.0
  O  O13  1  0.259  0.741  0.776  1.0
[/CIF]
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The compound described by LiCoTiO4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. 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 six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. 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 six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Ti(1), and one Co(1) atom to form distorted OLiTi2Co trigonal pyramids that share corners with three equivalent O(2)LiTi2Co trigonal pyramids, corners with six equivalent O(3)LiTiCo2 trigonal pyramids, and edges with two equivalent O(3)LiTiCo2 trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Ti(1), one Co(1), and one Co(2) atom to form distorted OLiTiCo2 trigonal pyramids that share corners with three equivalent O(2)LiTi2Co trigonal pyramids, corners with six equivalent O(3)LiTiCo2 trigonal pyramids,  an edgeedge with one O(2)LiTi2Co trigonal pyramid, and  an edgeedge with one O(3)LiTiCo2 trigonal pyramid. is represented by the CIF file [CIF]
data_LiTiCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.915
_cell_length_b   5.964
_cell_length_c   5.983
_cell_angle_alpha   121.635
_cell_angle_beta   60.383
_cell_angle_gamma   119.738
_symmetry_Int_Tables_number   1
_cell_volume   148.009
_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  0.121  0.875  0.633  1.0
  Li  Li1  1  0.879  0.125  0.367  1.0
  Ti  Ti2  1  0.500  0.500  0.000  1.0
  Ti  Ti3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.754  0.284  0.776  1.0
  O  O7  1  0.741  0.717  0.235  1.0
  O  O8  1  0.259  0.283  0.765  1.0
  O  O9  1  0.246  0.716  0.224  1.0
  O  O10  1  0.741  0.259  0.224  1.0
  O  O11  1  0.294  0.259  0.224  1.0
  O  O12  1  0.706  0.741  0.776  1.0
  O  O13  1  0.259  0.741  0.776  1.0
[/CIF]
.