The compound described by Li2(CoO2)3 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OLi2Co3 square pyramids. is represented by the CIF file [CIF]
data_Li2(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   5.097
_cell_length_c   10.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.190
_symmetry_Int_Tables_number   1
_cell_volume   231.516
_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  0.154  0.654  0.750  1.0
  Li  Li1  1  0.346  0.846  0.250  1.0
  Li  Li2  1  0.654  0.154  0.750  1.0
  Li  Li3  1  0.846  0.346  0.250  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.332  0.668  0.000  1.0
  Co  Co7  1  0.832  0.168  0.500  1.0
  Co  Co8  1  0.168  0.832  0.500  1.0
  Co  Co9  1  0.668  0.332  0.000  1.0
  O  O10  1  0.168  0.168  0.592  1.0
  O  O11  1  0.332  0.332  0.092  1.0
  O  O12  1  0.668  0.668  0.908  1.0
  O  O13  1  0.974  0.331  0.891  1.0
  O  O14  1  0.832  0.832  0.408  1.0
  O  O15  1  0.169  0.526  0.391  1.0
  O  O16  1  0.474  0.831  0.609  1.0
  O  O17  1  0.669  0.026  0.109  1.0
  O  O18  1  0.026  0.669  0.109  1.0
  O  O19  1  0.331  0.974  0.891  1.0
  O  O20  1  0.526  0.169  0.391  1.0
  O  O21  1  0.831  0.474  0.609  1.0
[/CIF]
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The compound described by Li2(CoO2)3 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OLi2Co3 square pyramids. is represented by the CIF file [CIF]
data_Li2(CoO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   5.097
_cell_length_c   10.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.190
_symmetry_Int_Tables_number   1
_cell_volume   231.516
_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  0.154  0.654  0.750  1.0
  Li  Li1  1  0.346  0.846  0.250  1.0
  Li  Li2  1  0.654  0.154  0.750  1.0
  Li  Li3  1  0.846  0.346  0.250  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.332  0.668  0.000  1.0
  Co  Co7  1  0.832  0.168  0.500  1.0
  Co  Co8  1  0.168  0.832  0.500  1.0
  Co  Co9  1  0.668  0.332  0.000  1.0
  O  O10  1  0.168  0.168  0.592  1.0
  O  O11  1  0.332  0.332  0.092  1.0
  O  O12  1  0.668  0.668  0.908  1.0
  O  O13  1  0.974  0.331  0.891  1.0
  O  O14  1  0.832  0.832  0.408  1.0
  O  O15  1  0.169  0.526  0.391  1.0
  O  O16  1  0.474  0.831  0.609  1.0
  O  O17  1  0.669  0.026  0.109  1.0
  O  O18  1  0.026  0.669  0.109  1.0
  O  O19  1  0.331  0.974  0.891  1.0
  O  O20  1  0.526  0.169  0.391  1.0
  O  O21  1  0.831  0.474  0.609  1.0
[/CIF]
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