The compound described by KCoO2 crystallizes in the tetragonal I-4 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent O(1) atoms to form corner-sharing CoO4 tetrahedra. In the second Co site, Co(2) is bonded to four equivalent O(1) atoms to form distorted corner-sharing CoO4 trigonal pyramids. 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. is represented by the CIF card [CIF]
data_KCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   5.322
_cell_length_c   5.324
_cell_angle_alpha   99.725
_cell_angle_beta   114.562
_cell_angle_gamma   114.546
_symmetry_Int_Tables_number   1
_cell_volume   113.650
_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  0.500  0.250  0.750  1.0
  K  K1  1  1.000  0.500  0.500  1.0
  Co  Co2  1  0.500  0.750  0.250  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.859  0.830  0.223  1.0
  O  O5  1  0.141  0.364  0.970  1.0
  O  O6  1  0.394  0.030  0.170  1.0
  O  O7  1  0.606  0.777  0.636  1.0
[/CIF]
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The compound described by KCoO2 crystallizes in the tetragonal I-4 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent O(1) atoms to form corner-sharing CoO4 tetrahedra. In the second Co site, Co(2) is bonded to four equivalent O(1) atoms to form distorted corner-sharing CoO4 trigonal pyramids. 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. is represented by the CIF card [CIF]
data_KCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   5.322
_cell_length_c   5.324
_cell_angle_alpha   99.725
_cell_angle_beta   114.562
_cell_angle_gamma   114.546
_symmetry_Int_Tables_number   1
_cell_volume   113.650
_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  0.500  0.250  0.750  1.0
  K  K1  1  1.000  0.500  0.500  1.0
  Co  Co2  1  0.500  0.750  0.250  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.859  0.830  0.223  1.0
  O  O5  1  0.141  0.364  0.970  1.0
  O  O6  1  0.394  0.030  0.170  1.0
  O  O7  1  0.606  0.777  0.636  1.0
[/CIF]
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