The structure described by KCoO2 crystallizes in the monoclinic C2 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted corner-sharing CoO4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing CoO4 tetrahedra. In the third Co site, Co(3) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted corner-sharing CoO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(1), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.578
_cell_length_b   5.578
_cell_length_c   5.582
_cell_angle_alpha   118.145
_cell_angle_beta   117.887
_cell_angle_gamma   93.431
_symmetry_Int_Tables_number   1
_cell_volume   126.306
_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
  Co  Co0  1  0.999  0.999  0.000  1.0
  Co  Co1  1  0.750  0.250  0.500  1.0
  K  K2  1  0.250  0.750  0.500  1.0
  K  K3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.012  0.625  0.862  1.0
  O  O5  1  0.763  0.150  0.138  1.0
  O  O6  1  0.374  0.235  0.383  1.0
  O  O7  1  0.852  0.991  0.617  1.0
[/CIF]
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The structure described by KCoO2 crystallizes in the monoclinic C2 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the third K site, K(3) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted corner-sharing CoO4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing CoO4 tetrahedra. In the third Co site, Co(3) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted corner-sharing CoO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(1), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.578
_cell_length_b   5.578
_cell_length_c   5.582
_cell_angle_alpha   118.145
_cell_angle_beta   117.887
_cell_angle_gamma   93.431
_symmetry_Int_Tables_number   1
_cell_volume   126.306
_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
  Co  Co0  1  0.999  0.999  0.000  1.0
  Co  Co1  1  0.750  0.250  0.500  1.0
  K  K2  1  0.250  0.750  0.500  1.0
  K  K3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.012  0.625  0.862  1.0
  O  O5  1  0.763  0.150  0.138  1.0
  O  O6  1  0.374  0.235  0.383  1.0
  O  O7  1  0.852  0.991  0.617  1.0
[/CIF]
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