The material structure described by KCuO crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to four equivalent K(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OK4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the CIF file [CIF]
data_KCuO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.485
_cell_length_b   7.091
_cell_length_c   7.091
_cell_angle_alpha   81.399
_cell_angle_beta   67.249
_cell_angle_gamma   67.249
_symmetry_Int_Tables_number   1
_cell_volume   234.556
_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  0.250  0.190  0.810  1.0
  K  K1  1  0.250  0.810  0.190  1.0
  K  K2  1  0.940  0.810  0.810  1.0
  K  K3  1  0.560  0.190  0.190  1.0
  Cu  Cu4  1  0.890  0.500  0.221  1.0
  Cu  Cu5  1  0.610  0.779  0.500  1.0
  Cu  Cu6  1  0.610  0.500  0.779  1.0
  Cu  Cu7  1  0.890  0.221  0.500  1.0
  O  O8  1  0.471  0.779  0.779  1.0
  O  O9  1  0.750  0.221  0.779  1.0
  O  O10  1  0.750  0.779  0.221  1.0
  O  O11  1  0.029  0.221  0.221  1.0
[/CIF]
.
The material structure described by KCuO crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to four equivalent K(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OK4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the CIF file [CIF]
data_KCuO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.485
_cell_length_b   7.091
_cell_length_c   7.091
_cell_angle_alpha   81.399
_cell_angle_beta   67.249
_cell_angle_gamma   67.249
_symmetry_Int_Tables_number   1
_cell_volume   234.556
_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  0.250  0.190  0.810  1.0
  K  K1  1  0.250  0.810  0.190  1.0
  K  K2  1  0.940  0.810  0.810  1.0
  K  K3  1  0.560  0.190  0.190  1.0
  Cu  Cu4  1  0.890  0.500  0.221  1.0
  Cu  Cu5  1  0.610  0.779  0.500  1.0
  Cu  Cu6  1  0.610  0.500  0.779  1.0
  Cu  Cu7  1  0.890  0.221  0.500  1.0
  O  O8  1  0.471  0.779  0.779  1.0
  O  O9  1  0.750  0.221  0.779  1.0
  O  O10  1  0.750  0.779  0.221  1.0
  O  O11  1  0.029  0.221  0.221  1.0
[/CIF]
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