The structure described by LiCoTiO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ti(1), and one Co(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_LiTiCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.974
_cell_length_b   8.179
_cell_length_c   5.974
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   291.913
_cell_formula_units_Z   4
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  0.228  0.000  0.000  1.0
  Li  Li1  1  0.772  0.500  1.000  1.0
  Li  Li2  1  0.000  0.250  0.228  1.0
  Li  Li3  1  1.000  0.750  0.772  1.0
  Ti  Ti4  1  0.500  0.250  0.221  1.0
  Ti  Ti5  1  0.221  1.000  0.500  1.0
  Ti  Ti6  1  0.779  0.500  0.500  1.0
  Ti  Ti7  1  0.500  0.750  0.779  1.0
  Co  Co8  1  0.258  0.375  0.742  1.0
  Co  Co9  1  0.742  0.125  0.742  1.0
  Co  Co10  1  0.258  0.625  0.258  1.0
  Co  Co11  1  0.742  0.875  0.258  1.0
  O  O12  1  0.267  0.260  0.012  1.0
  O  O13  1  0.733  0.240  0.012  1.0
  O  O14  1  0.012  0.990  0.267  1.0
  O  O15  1  0.988  0.510  0.267  1.0
  O  O16  1  0.012  0.009  0.733  1.0
  O  O17  1  0.988  0.491  0.733  1.0
  O  O18  1  0.267  0.740  0.988  1.0
  O  O19  1  0.733  0.760  0.988  1.0
  O  O20  1  0.483  0.010  0.264  1.0
  O  O21  1  0.517  0.490  0.264  1.0
  O  O22  1  0.264  0.240  0.483  1.0
  O  O23  1  0.736  0.260  0.483  1.0
  O  O24  1  0.264  0.760  0.517  1.0
  O  O25  1  0.736  0.740  0.517  1.0
  O  O26  1  0.516  0.510  0.736  1.0
  O  O27  1  0.484  0.990  0.736  1.0
[/CIF]
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The structure described by LiCoTiO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ti(1), and one Co(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_LiTiCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.974
_cell_length_b   8.179
_cell_length_c   5.974
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   291.913
_cell_formula_units_Z   4
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  0.228  0.000  0.000  1.0
  Li  Li1  1  0.772  0.500  1.000  1.0
  Li  Li2  1  0.000  0.250  0.228  1.0
  Li  Li3  1  1.000  0.750  0.772  1.0
  Ti  Ti4  1  0.500  0.250  0.221  1.0
  Ti  Ti5  1  0.221  1.000  0.500  1.0
  Ti  Ti6  1  0.779  0.500  0.500  1.0
  Ti  Ti7  1  0.500  0.750  0.779  1.0
  Co  Co8  1  0.258  0.375  0.742  1.0
  Co  Co9  1  0.742  0.125  0.742  1.0
  Co  Co10  1  0.258  0.625  0.258  1.0
  Co  Co11  1  0.742  0.875  0.258  1.0
  O  O12  1  0.267  0.260  0.012  1.0
  O  O13  1  0.733  0.240  0.012  1.0
  O  O14  1  0.012  0.990  0.267  1.0
  O  O15  1  0.988  0.510  0.267  1.0
  O  O16  1  0.012  0.009  0.733  1.0
  O  O17  1  0.988  0.491  0.733  1.0
  O  O18  1  0.267  0.740  0.988  1.0
  O  O19  1  0.733  0.760  0.988  1.0
  O  O20  1  0.483  0.010  0.264  1.0
  O  O21  1  0.517  0.490  0.264  1.0
  O  O22  1  0.264  0.240  0.483  1.0
  O  O23  1  0.736  0.260  0.483  1.0
  O  O24  1  0.264  0.760  0.517  1.0
  O  O25  1  0.736  0.740  0.517  1.0
  O  O26  1  0.516  0.510  0.736  1.0
  O  O27  1  0.484  0.990  0.736  1.0
[/CIF]
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