The material structure described by KCoO2 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded to five equivalent O(1) atoms to form a mixture of corner and edge-sharing KO5 square pyramids. Co(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent K(1) and one Co(1) atom to form distorted OK5Co octahedra that share corners with four equivalent O(1)K5Co octahedra, corners with four equivalent O(2)Co4 trigonal pyramids, and edges with eight equivalent O(1)K5Co octahedra. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded to four equivalent Co(1) atoms to form distorted OCo4 trigonal pyramids that share corners with four equivalent O(1)K5Co octahedra, corners with four equivalent O(2)Co4 trigonal pyramids, and edges with four equivalent O(2)Co4 trigonal pyramids. The corner-sharing octahedral tilt angles are 69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.848
_cell_length_b   3.848
_cell_length_c   8.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.500
_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
  K  K0  1  0.000  0.500  0.341  1.0
  K  K1  1  0.500  0.000  0.659  1.0
  Co  Co2  1  0.000  0.500  0.907  1.0
  Co  Co3  1  0.500  0.000  0.093  1.0
  O  O4  1  0.000  0.500  0.689  1.0
  O  O5  1  0.500  0.000  0.311  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by KCoO2 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded to five equivalent O(1) atoms to form a mixture of corner and edge-sharing KO5 square pyramids. Co(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent K(1) and one Co(1) atom to form distorted OK5Co octahedra that share corners with four equivalent O(1)K5Co octahedra, corners with four equivalent O(2)Co4 trigonal pyramids, and edges with eight equivalent O(1)K5Co octahedra. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded to four equivalent Co(1) atoms to form distorted OCo4 trigonal pyramids that share corners with four equivalent O(1)K5Co octahedra, corners with four equivalent O(2)Co4 trigonal pyramids, and edges with four equivalent O(2)Co4 trigonal pyramids. The corner-sharing octahedral tilt angles are 69°. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.848
_cell_length_b   3.848
_cell_length_c   8.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.500
_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
  K  K0  1  0.000  0.500  0.341  1.0
  K  K1  1  0.500  0.000  0.659  1.0
  Co  Co2  1  0.000  0.500  0.907  1.0
  Co  Co3  1  0.500  0.000  0.093  1.0
  O  O4  1  0.000  0.500  0.689  1.0
  O  O5  1  0.500  0.000  0.311  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.500  0.500  0.000  1.0
[/CIF]
.