The compound described by K3CoO2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted L-shaped geometry to one O(1) and one O(2) atom. In the second K site, K(2) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Co(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), four equivalent K(2), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), four equivalent K(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3CoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   7.268
_cell_length_c   11.831
_cell_angle_alpha   90.001
_cell_angle_beta   89.994
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   512.142
_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  0.217  0.250  0.095  1.0
  K  K1  1  0.784  0.750  0.905  1.0
  K  K2  1  0.284  0.250  0.595  1.0
  K  K3  1  0.716  0.750  0.405  1.0
  K  K4  1  0.166  0.500  0.361  1.0
  K  K5  1  0.666  0.000  0.139  1.0
  K  K6  1  0.834  0.000  0.639  1.0
  K  K7  1  0.666  0.500  0.139  1.0
  K  K8  1  0.834  0.500  0.639  1.0
  K  K9  1  0.166  1.000  0.361  1.0
  K  K10  1  0.334  1.000  0.861  1.0
  K  K11  1  0.334  0.500  0.861  1.0
  Co  Co12  1  0.179  0.750  0.118  1.0
  Co  Co13  1  0.321  0.750  0.618  1.0
  Co  Co14  1  0.821  0.250  0.882  1.0
  Co  Co15  1  0.679  0.250  0.382  1.0
  O  O16  1  0.540  0.750  0.717  1.0
  O  O17  1  0.460  0.250  0.283  1.0
  O  O18  1  0.040  0.250  0.783  1.0
  O  O19  1  0.961  0.750  0.217  1.0
  O  O20  1  0.908  0.250  0.474  1.0
  O  O21  1  0.408  0.750  0.026  1.0
  O  O22  1  0.592  0.250  0.974  1.0
  O  O23  1  0.092  0.750  0.526  1.0
[/CIF]
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The compound described by K3CoO2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted L-shaped geometry to one O(1) and one O(2) atom. In the second K site, K(2) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Co(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), four equivalent K(2), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), four equivalent K(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3CoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   7.268
_cell_length_c   11.831
_cell_angle_alpha   90.001
_cell_angle_beta   89.994
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   512.142
_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  0.217  0.250  0.095  1.0
  K  K1  1  0.784  0.750  0.905  1.0
  K  K2  1  0.284  0.250  0.595  1.0
  K  K3  1  0.716  0.750  0.405  1.0
  K  K4  1  0.166  0.500  0.361  1.0
  K  K5  1  0.666  0.000  0.139  1.0
  K  K6  1  0.834  0.000  0.639  1.0
  K  K7  1  0.666  0.500  0.139  1.0
  K  K8  1  0.834  0.500  0.639  1.0
  K  K9  1  0.166  1.000  0.361  1.0
  K  K10  1  0.334  1.000  0.861  1.0
  K  K11  1  0.334  0.500  0.861  1.0
  Co  Co12  1  0.179  0.750  0.118  1.0
  Co  Co13  1  0.321  0.750  0.618  1.0
  Co  Co14  1  0.821  0.250  0.882  1.0
  Co  Co15  1  0.679  0.250  0.382  1.0
  O  O16  1  0.540  0.750  0.717  1.0
  O  O17  1  0.460  0.250  0.283  1.0
  O  O18  1  0.040  0.250  0.783  1.0
  O  O19  1  0.961  0.750  0.217  1.0
  O  O20  1  0.908  0.250  0.474  1.0
  O  O21  1  0.408  0.750  0.026  1.0
  O  O22  1  0.592  0.250  0.974  1.0
  O  O23  1  0.092  0.750  0.526  1.0
[/CIF]
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