The material described by KNa2CuO2 crystallizes in the tetragonal I4mm space group. K(1) is bonded in a 1-coordinate geometry to one O(2) atom. Na(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Cu(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 5-coordinate geometry to four equivalent Na(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), four equivalent Na(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_KNa2CuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.291
_cell_length_b   6.291
_cell_length_c   6.291
_cell_angle_alpha   139.158
_cell_angle_beta   139.158
_cell_angle_gamma   59.135
_symmetry_Int_Tables_number   1
_cell_volume   105.477
_cell_formula_units_Z   1
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  0.573  0.573  0.000  1.0
  Na  Na1  1  0.773  0.273  0.500  1.0
  Na  Na2  1  0.273  0.773  0.500  1.0
  Cu  Cu3  1  0.995  0.995  0.000  1.0
  O  O4  1  0.162  0.162  0.000  1.0
  O  O5  1  0.830  0.830  0.000  1.0
[/CIF]
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The material described by KNa2CuO2 crystallizes in the tetragonal I4mm space group. K(1) is bonded in a 1-coordinate geometry to one O(2) atom. Na(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Cu(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 5-coordinate geometry to four equivalent Na(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), four equivalent Na(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_KNa2CuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.291
_cell_length_b   6.291
_cell_length_c   6.291
_cell_angle_alpha   139.158
_cell_angle_beta   139.158
_cell_angle_gamma   59.135
_symmetry_Int_Tables_number   1
_cell_volume   105.477
_cell_formula_units_Z   1
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  0.573  0.573  0.000  1.0
  Na  Na1  1  0.773  0.273  0.500  1.0
  Na  Na2  1  0.273  0.773  0.500  1.0
  Cu  Cu3  1  0.995  0.995  0.000  1.0
  O  O4  1  0.162  0.162  0.000  1.0
  O  O5  1  0.830  0.830  0.000  1.0
[/CIF]
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