The material described by K2Li2Cu(OI)2 crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent I(1) atoms. Li(1) is bonded to four equivalent I(1) atoms to form a mixture of distorted corner and edge-sharing LiI4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to four equivalent K(1) and two equivalent Cu(1) atoms to form a mixture of face, corner, and edge-sharing OK4Cu2 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_K2Li2Cu(IO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.109
_cell_length_b   12.109
_cell_length_c   12.109
_cell_angle_alpha   160.230
_cell_angle_beta   160.230
_cell_angle_gamma   28.101
_symmetry_Int_Tables_number   1
_cell_volume   203.013
_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  0.933  0.933  0.000  1.0
  K  K1  1  0.067  0.067  0.000  1.0
  Li  Li2  1  0.750  0.250  0.500  1.0
  Li  Li3  1  0.250  0.750  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  I  I5  1  0.324  0.324  0.000  1.0
  I  I6  1  0.676  0.676  0.000  1.0
  O  O7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by K2Li2Cu(OI)2 crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent I(1) atoms. Li(1) is bonded to four equivalent I(1) atoms to form a mixture of distorted corner and edge-sharing LiI4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to four equivalent K(1) and two equivalent Cu(1) atoms to form a mixture of face, corner, and edge-sharing OK4Cu2 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_K2Li2Cu(IO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.109
_cell_length_b   12.109
_cell_length_c   12.109
_cell_angle_alpha   160.230
_cell_angle_beta   160.230
_cell_angle_gamma   28.101
_symmetry_Int_Tables_number   1
_cell_volume   203.013
_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  0.933  0.933  0.000  1.0
  K  K1  1  0.067  0.067  0.000  1.0
  Li  Li2  1  0.750  0.250  0.500  1.0
  Li  Li3  1  0.250  0.750  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  I  I5  1  0.324  0.324  0.000  1.0
  I  I6  1  0.676  0.676  0.000  1.0
  O  O7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.000  0.500  0.500  1.0
[/CIF]
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