The crystal structure described by K4OI2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent I(1) atoms. In the second K site, K(2) is bonded in a distorted single-bond geometry to one O(1) and five equivalent I(1) atoms. O(1) is bonded to two equivalent K(2) and four equivalent K(1) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a 9-coordinate geometry to four equivalent K(1) and five equivalent K(2) atoms. is represented by the CIF file [CIF]
data_K4I2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.502
_cell_length_b   9.502
_cell_length_c   9.502
_cell_angle_alpha   147.719
_cell_angle_beta   147.719
_cell_angle_gamma   46.300
_symmetry_Int_Tables_number   1
_cell_volume   243.846
_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  0.500  0.000  0.500  1.0
  K  K1  1  0.147  0.147  0.000  1.0
  K  K2  1  0.853  0.853  0.000  1.0
  K  K3  1  0.000  0.500  0.500  1.0
  I  I4  1  0.353  0.353  0.000  1.0
  I  I5  1  0.647  0.647  0.000  1.0
  O  O6  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by K4OI2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent I(1) atoms. In the second K site, K(2) is bonded in a distorted single-bond geometry to one O(1) and five equivalent I(1) atoms. O(1) is bonded to two equivalent K(2) and four equivalent K(1) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a 9-coordinate geometry to four equivalent K(1) and five equivalent K(2) atoms. is represented by the CIF file [CIF]
data_K4I2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.502
_cell_length_b   9.502
_cell_length_c   9.502
_cell_angle_alpha   147.719
_cell_angle_beta   147.719
_cell_angle_gamma   46.300
_symmetry_Int_Tables_number   1
_cell_volume   243.846
_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  0.500  0.000  0.500  1.0
  K  K1  1  0.147  0.147  0.000  1.0
  K  K2  1  0.853  0.853  0.000  1.0
  K  K3  1  0.000  0.500  0.500  1.0
  I  I4  1  0.353  0.353  0.000  1.0
  I  I5  1  0.647  0.647  0.000  1.0
  O  O6  1  0.000  0.000  0.000  1.0
[/CIF]
.