The material structure described by Li(CoO2)2 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Li(1) and three equivalent Co(1) atoms to form a mixture of edge and corner-sharing OLiCo3 trigonal pyramids. In the second O site, O(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form a mixture of edge and corner-sharing OLiCo3 trigonal pyramids. is represented by the CIF card [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.801
_cell_length_b   5.587
_cell_length_c   9.859
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.484
_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  0.655  0.000  0.750  1.0
  Li  Li1  1  0.345  0.000  0.250  1.0
  Li  Li2  1  0.155  0.500  0.750  1.0
  Li  Li3  1  0.845  0.500  0.250  1.0
  Co  Co4  1  0.747  0.625  0.504  1.0
  Co  Co5  1  0.253  0.625  0.004  1.0
  Co  Co6  1  0.247  0.875  0.504  1.0
  Co  Co7  1  0.753  0.875  0.004  1.0
  Co  Co8  1  0.753  0.125  0.496  1.0
  Co  Co9  1  0.247  0.125  0.996  1.0
  Co  Co10  1  0.747  0.375  0.996  1.0
  Co  Co11  1  0.253  0.375  0.496  1.0
  O  O12  1  0.923  0.626  0.903  1.0
  O  O13  1  0.408  0.623  0.601  1.0
  O  O14  1  0.077  0.626  0.403  1.0
  O  O15  1  0.592  0.623  0.101  1.0
  O  O16  1  0.908  0.877  0.601  1.0
  O  O17  1  0.423  0.874  0.903  1.0
  O  O18  1  0.577  0.874  0.403  1.0
  O  O19  1  0.092  0.877  0.101  1.0
  O  O20  1  0.092  0.123  0.399  1.0
  O  O21  1  0.577  0.126  0.097  1.0
  O  O22  1  0.908  0.123  0.899  1.0
  O  O23  1  0.423  0.126  0.597  1.0
  O  O24  1  0.077  0.374  0.097  1.0
  O  O25  1  0.408  0.377  0.899  1.0
  O  O26  1  0.923  0.374  0.597  1.0
  O  O27  1  0.592  0.377  0.399  1.0
[/CIF]
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The material structure described by Li(CoO2)2 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Li(1) and three equivalent Co(1) atoms to form a mixture of edge and corner-sharing OLiCo3 trigonal pyramids. In the second O site, O(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form a mixture of edge and corner-sharing OLiCo3 trigonal pyramids. is represented by the CIF card [CIF]
data_Li(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.801
_cell_length_b   5.587
_cell_length_c   9.859
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.484
_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  0.655  0.000  0.750  1.0
  Li  Li1  1  0.345  0.000  0.250  1.0
  Li  Li2  1  0.155  0.500  0.750  1.0
  Li  Li3  1  0.845  0.500  0.250  1.0
  Co  Co4  1  0.747  0.625  0.504  1.0
  Co  Co5  1  0.253  0.625  0.004  1.0
  Co  Co6  1  0.247  0.875  0.504  1.0
  Co  Co7  1  0.753  0.875  0.004  1.0
  Co  Co8  1  0.753  0.125  0.496  1.0
  Co  Co9  1  0.247  0.125  0.996  1.0
  Co  Co10  1  0.747  0.375  0.996  1.0
  Co  Co11  1  0.253  0.375  0.496  1.0
  O  O12  1  0.923  0.626  0.903  1.0
  O  O13  1  0.408  0.623  0.601  1.0
  O  O14  1  0.077  0.626  0.403  1.0
  O  O15  1  0.592  0.623  0.101  1.0
  O  O16  1  0.908  0.877  0.601  1.0
  O  O17  1  0.423  0.874  0.903  1.0
  O  O18  1  0.577  0.874  0.403  1.0
  O  O19  1  0.092  0.877  0.101  1.0
  O  O20  1  0.092  0.123  0.399  1.0
  O  O21  1  0.577  0.126  0.097  1.0
  O  O22  1  0.908  0.123  0.899  1.0
  O  O23  1  0.423  0.126  0.597  1.0
  O  O24  1  0.077  0.374  0.097  1.0
  O  O25  1  0.408  0.377  0.899  1.0
  O  O26  1  0.923  0.374  0.597  1.0
  O  O27  1  0.592  0.377  0.399  1.0
[/CIF]
.