The material 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 distorted corner-sharing CoO4 tetrahedra. In the second Co site, Co(2) is bonded to four equivalent O(1) atoms to form corner-sharing CoO4 tetrahedra. 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   5.566
_cell_length_b   5.569
_cell_length_c   5.566
_cell_angle_alpha   61.756
_cell_angle_beta   92.986
_cell_angle_gamma   61.693
_symmetry_Int_Tables_number   1
_cell_volume   125.005
_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  0.250  0.500  0.750  1.0
  K  K1  1  0.500  1.000  0.500  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.750  0.500  0.250  1.0
  O  O4  1  0.375  0.861  0.991  1.0
  O  O5  1  0.852  0.139  0.235  1.0
  O  O6  1  0.765  0.383  0.626  1.0
  O  O7  1  0.009  0.617  0.148  1.0
[/CIF]
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The material 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 distorted corner-sharing CoO4 tetrahedra. In the second Co site, Co(2) is bonded to four equivalent O(1) atoms to form corner-sharing CoO4 tetrahedra. 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   5.566
_cell_length_b   5.569
_cell_length_c   5.566
_cell_angle_alpha   61.756
_cell_angle_beta   92.986
_cell_angle_gamma   61.693
_symmetry_Int_Tables_number   1
_cell_volume   125.005
_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  0.250  0.500  0.750  1.0
  K  K1  1  0.500  1.000  0.500  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.750  0.500  0.250  1.0
  O  O4  1  0.375  0.861  0.991  1.0
  O  O5  1  0.852  0.139  0.235  1.0
  O  O6  1  0.765  0.383  0.626  1.0
  O  O7  1  0.009  0.617  0.148  1.0
[/CIF]
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