The structure described by LiCo6O7 is Caswellsilverite-like structured and crystallizes in the trigonal R-3 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and edges with twelve equivalent Co(1)O6 octahedra. The corner-sharing octahedra are not tilted. Co(1) is bonded to one O(2) and five equivalent O(1) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with ten equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and five equivalent Co(1) atoms to form OLiCo5 octahedra that share  a cornercorner with one O(2)Co6 octahedra, corners with five equivalent O(1)LiCo5 octahedra, edges with two equivalent O(2)Co6 octahedra, and edges with ten equivalent O(1)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to six equivalent Co(1) atoms to form a mixture of edge and corner-sharing OCo6 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_LiCo6O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.202
_cell_length_b   5.202
_cell_length_c   5.202
_cell_angle_alpha   99.273
_cell_angle_beta   99.273
_cell_angle_gamma   99.273
_symmetry_Int_Tables_number   1
_cell_volume   134.600
_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
  Co  Co1  1  0.283  0.140  0.571  1.0
  Co  Co2  1  0.140  0.571  0.283  1.0
  Co  Co3  1  0.429  0.717  0.860  1.0
  Co  Co4  1  0.571  0.283  0.140  1.0
  Co  Co5  1  0.717  0.860  0.429  1.0
  Co  Co6  1  0.860  0.429  0.717  1.0
  O  O7  1  0.071  0.779  0.634  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.221  0.366  0.929  1.0
  O  O10  1  0.929  0.221  0.366  1.0
  O  O11  1  0.366  0.929  0.221  1.0
  O  O12  1  0.634  0.071  0.779  1.0
  O  O13  1  0.779  0.634  0.071  1.0
[/CIF]
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The structure described by LiCo6O7 is Caswellsilverite-like structured and crystallizes in the trigonal R-3 space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and edges with twelve equivalent Co(1)O6 octahedra. The corner-sharing octahedra are not tilted. Co(1) is bonded to one O(2) and five equivalent O(1) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with ten equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and five equivalent Co(1) atoms to form OLiCo5 octahedra that share  a cornercorner with one O(2)Co6 octahedra, corners with five equivalent O(1)LiCo5 octahedra, edges with two equivalent O(2)Co6 octahedra, and edges with ten equivalent O(1)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to six equivalent Co(1) atoms to form a mixture of edge and corner-sharing OCo6 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF card [CIF]
data_LiCo6O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.202
_cell_length_b   5.202
_cell_length_c   5.202
_cell_angle_alpha   99.273
_cell_angle_beta   99.273
_cell_angle_gamma   99.273
_symmetry_Int_Tables_number   1
_cell_volume   134.600
_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
  Co  Co1  1  0.283  0.140  0.571  1.0
  Co  Co2  1  0.140  0.571  0.283  1.0
  Co  Co3  1  0.429  0.717  0.860  1.0
  Co  Co4  1  0.571  0.283  0.140  1.0
  Co  Co5  1  0.717  0.860  0.429  1.0
  Co  Co6  1  0.860  0.429  0.717  1.0
  O  O7  1  0.071  0.779  0.634  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.221  0.366  0.929  1.0
  O  O10  1  0.929  0.221  0.366  1.0
  O  O11  1  0.366  0.929  0.221  1.0
  O  O12  1  0.634  0.071  0.779  1.0
  O  O13  1  0.779  0.634  0.071  1.0
[/CIF]
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