The crystal structure described by LiCr(CoO3)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. Co(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Cr(1), and one Co(1) atom to form a mixture of edge and corner-sharing OLi2Cr2Co square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_LiCr(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.507
_cell_length_b   6.507
_cell_length_c   5.971
_cell_angle_alpha   75.159
_cell_angle_beta   75.159
_cell_angle_gamma   25.631
_symmetry_Int_Tables_number   1
_cell_volume   105.535
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.328  0.328  0.829  1.0
  Co  Co3  1  0.672  0.672  0.171  1.0
  O  O4  1  0.162  0.162  0.378  1.0
  O  O5  1  0.484  0.484  0.742  1.0
  O  O6  1  0.516  0.516  0.258  1.0
  O  O7  1  0.825  0.825  0.043  1.0
  O  O8  1  0.838  0.838  0.622  1.0
  O  O9  1  0.175  0.175  0.957  1.0
[/CIF]
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The crystal structure described by LiCr(CoO3)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. Co(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Cr(1), and one Co(1) atom to form a mixture of edge and corner-sharing OLi2Cr2Co square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_LiCr(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.507
_cell_length_b   6.507
_cell_length_c   5.971
_cell_angle_alpha   75.159
_cell_angle_beta   75.159
_cell_angle_gamma   25.631
_symmetry_Int_Tables_number   1
_cell_volume   105.535
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.328  0.328  0.829  1.0
  Co  Co3  1  0.672  0.672  0.171  1.0
  O  O4  1  0.162  0.162  0.378  1.0
  O  O5  1  0.484  0.484  0.742  1.0
  O  O6  1  0.516  0.516  0.258  1.0
  O  O7  1  0.825  0.825  0.043  1.0
  O  O8  1  0.838  0.838  0.622  1.0
  O  O9  1  0.175  0.175  0.957  1.0
[/CIF]
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