The structure described by Li3CoO3 is Ilmenite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with five equivalent Co(1)O4 trigonal pyramids and  an edgeedge with one Li(2)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Co(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted CoO4 trigonal pyramids that share corners with five equivalent Li(2)O4 tetrahedra and  an edgeedge with one Co(1)O4 trigonal pyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Li(3), and one Co(1) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), and one Co(1) atom to form edge-sharing OLi5Co octahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   5.484
_cell_length_c   5.585
_cell_angle_alpha   117.962
_cell_angle_beta   90.012
_cell_angle_gamma   90.967
_symmetry_Int_Tables_number   1
_cell_volume   141.080
_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  0.914  0.474  0.202  1.0
  Li  Li1  1  0.872  0.993  0.791  1.0
  Li  Li2  1  0.555  0.735  0.991  1.0
  Li  Li3  1  0.445  0.265  0.009  1.0
  Li  Li4  1  0.128  0.007  0.209  1.0
  Li  Li5  1  0.086  0.526  0.798  1.0
  Co  Co6  1  0.650  0.288  0.501  1.0
  Co  Co7  1  0.350  0.712  0.499  1.0
  O  O8  1  0.765  0.067  0.165  1.0
  O  O9  1  0.750  0.359  0.841  1.0
  O  O10  1  0.710  0.656  0.526  1.0
  O  O11  1  0.290  0.344  0.474  1.0
  O  O12  1  0.250  0.641  0.159  1.0
  O  O13  1  0.235  0.933  0.835  1.0
[/CIF]
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The structure described by Li3CoO3 is Ilmenite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with five equivalent Co(1)O4 trigonal pyramids and  an edgeedge with one Li(2)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Co(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted CoO4 trigonal pyramids that share corners with five equivalent Li(2)O4 tetrahedra and  an edgeedge with one Co(1)O4 trigonal pyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Li(2), two equivalent Li(3), and one Co(1) atom. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), and one Co(1) atom to form edge-sharing OLi5Co octahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.217
_cell_length_b   5.484
_cell_length_c   5.585
_cell_angle_alpha   117.962
_cell_angle_beta   90.012
_cell_angle_gamma   90.967
_symmetry_Int_Tables_number   1
_cell_volume   141.080
_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  0.914  0.474  0.202  1.0
  Li  Li1  1  0.872  0.993  0.791  1.0
  Li  Li2  1  0.555  0.735  0.991  1.0
  Li  Li3  1  0.445  0.265  0.009  1.0
  Li  Li4  1  0.128  0.007  0.209  1.0
  Li  Li5  1  0.086  0.526  0.798  1.0
  Co  Co6  1  0.650  0.288  0.501  1.0
  Co  Co7  1  0.350  0.712  0.499  1.0
  O  O8  1  0.765  0.067  0.165  1.0
  O  O9  1  0.750  0.359  0.841  1.0
  O  O10  1  0.710  0.656  0.526  1.0
  O  O11  1  0.290  0.344  0.474  1.0
  O  O12  1  0.250  0.641  0.159  1.0
  O  O13  1  0.235  0.933  0.835  1.0
[/CIF]
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