The crystal structure described by K2O2 is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent K(2), and one O(2) atom. In the second O site, O(1) is bonded to three equivalent K(1), three equivalent K(2), and one O(1) atom to form a mixture of distorted edge, face, and corner-sharing OK6O pentagonal bipyramids. is represented by the CIF card [CIF]
data_K2O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.015
_cell_length_b   7.015
_cell_length_c   5.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   215.347
_cell_formula_units_Z   3
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  0.707  0.500  1.0
  K  K1  1  0.293  0.293  0.500  1.0
  K  K2  1  0.707  0.000  0.500  1.0
  K  K3  1  0.000  0.368  0.000  1.0
  K  K4  1  0.632  0.632  0.000  1.0
  K  K5  1  0.368  0.000  0.000  1.0
  O  O6  1  0.667  0.333  0.348  1.0
  O  O7  1  0.667  0.333  0.652  1.0
  O  O8  1  0.333  0.667  0.652  1.0
  O  O9  1  0.333  0.667  0.348  1.0
  O  O10  1  0.000  0.000  0.850  1.0
  O  O11  1  0.000  0.000  0.150  1.0
[/CIF]
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The crystal structure described by K2O2 is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 7-coordinate geometry to three equivalent K(1), three equivalent K(2), and one O(2) atom. In the second O site, O(1) is bonded to three equivalent K(1), three equivalent K(2), and one O(1) atom to form a mixture of distorted edge, face, and corner-sharing OK6O pentagonal bipyramids. is represented by the CIF card [CIF]
data_K2O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.015
_cell_length_b   7.015
_cell_length_c   5.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   215.347
_cell_formula_units_Z   3
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  0.707  0.500  1.0
  K  K1  1  0.293  0.293  0.500  1.0
  K  K2  1  0.707  0.000  0.500  1.0
  K  K3  1  0.000  0.368  0.000  1.0
  K  K4  1  0.632  0.632  0.000  1.0
  K  K5  1  0.368  0.000  0.000  1.0
  O  O6  1  0.667  0.333  0.348  1.0
  O  O7  1  0.667  0.333  0.652  1.0
  O  O8  1  0.333  0.667  0.652  1.0
  O  O9  1  0.333  0.667  0.348  1.0
  O  O10  1  0.000  0.000  0.850  1.0
  O  O11  1  0.000  0.000  0.150  1.0
[/CIF]
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