The material described by K(CoO2)2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one K(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OKCo3 trigonal pyramids. In the second O site, O(2) is bonded to one K(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OKCo3 trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Co(2), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Co(3), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_K(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.626
_cell_length_b   4.874
_cell_length_c   12.426
_cell_angle_alpha   90.020
_cell_angle_beta   90.044
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   340.750
_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
  K  K0  1  0.000  0.039  0.250  1.0
  K  K1  1  0.999  0.364  0.750  1.0
  K  K2  1  0.501  0.636  0.250  1.0
  K  K3  1  0.500  0.961  0.750  1.0
  Co  Co4  1  1.000  1.000  0.999  1.0
  Co  Co5  1  0.999  1.000  0.501  1.0
  Co  Co6  1  0.250  0.500  0.000  1.0
  Co  Co7  1  0.250  0.500  0.500  1.0
  Co  Co8  1  0.500  0.000  0.001  1.0
  Co  Co9  1  0.501  0.000  0.499  1.0
  Co  Co10  1  0.750  0.500  0.500  1.0
  Co  Co11  1  0.750  0.500  0.000  1.0
  O  O12  1  0.000  0.334  0.425  1.0
  O  O13  1  0.000  0.334  0.075  1.0
  O  O14  1  1.000  0.668  0.577  1.0
  O  O15  1  1.000  0.668  0.923  1.0
  O  O16  1  0.248  0.833  0.422  1.0
  O  O17  1  0.249  0.834  0.078  1.0
  O  O18  1  0.252  0.167  0.578  1.0
  O  O19  1  0.251  0.166  0.922  1.0
  O  O20  1  0.500  0.332  0.423  1.0
  O  O21  1  0.500  0.332  0.077  1.0
  O  O22  1  0.500  0.666  0.575  1.0
  O  O23  1  0.500  0.666  0.925  1.0
  O  O24  1  0.751  0.835  0.422  1.0
  O  O25  1  0.751  0.834  0.078  1.0
  O  O26  1  0.749  0.165  0.578  1.0
  O  O27  1  0.749  0.166  0.922  1.0
[/CIF]
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The material described by K(CoO2)2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one K(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OKCo3 trigonal pyramids. In the second O site, O(2) is bonded to one K(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted edge and corner-sharing OKCo3 trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Co(2), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Co(3), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_K(CoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.626
_cell_length_b   4.874
_cell_length_c   12.426
_cell_angle_alpha   90.020
_cell_angle_beta   90.044
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   340.750
_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
  K  K0  1  0.000  0.039  0.250  1.0
  K  K1  1  0.999  0.364  0.750  1.0
  K  K2  1  0.501  0.636  0.250  1.0
  K  K3  1  0.500  0.961  0.750  1.0
  Co  Co4  1  1.000  1.000  0.999  1.0
  Co  Co5  1  0.999  1.000  0.501  1.0
  Co  Co6  1  0.250  0.500  0.000  1.0
  Co  Co7  1  0.250  0.500  0.500  1.0
  Co  Co8  1  0.500  0.000  0.001  1.0
  Co  Co9  1  0.501  0.000  0.499  1.0
  Co  Co10  1  0.750  0.500  0.500  1.0
  Co  Co11  1  0.750  0.500  0.000  1.0
  O  O12  1  0.000  0.334  0.425  1.0
  O  O13  1  0.000  0.334  0.075  1.0
  O  O14  1  1.000  0.668  0.577  1.0
  O  O15  1  1.000  0.668  0.923  1.0
  O  O16  1  0.248  0.833  0.422  1.0
  O  O17  1  0.249  0.834  0.078  1.0
  O  O18  1  0.252  0.167  0.578  1.0
  O  O19  1  0.251  0.166  0.922  1.0
  O  O20  1  0.500  0.332  0.423  1.0
  O  O21  1  0.500  0.332  0.077  1.0
  O  O22  1  0.500  0.666  0.575  1.0
  O  O23  1  0.500  0.666  0.925  1.0
  O  O24  1  0.751  0.835  0.422  1.0
  O  O25  1  0.751  0.834  0.078  1.0
  O  O26  1  0.749  0.165  0.578  1.0
  O  O27  1  0.749  0.166  0.922  1.0
[/CIF]
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