data_KIO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   8.32
_cell_angle_alpha   132.01
_cell_angle_beta   132.01
_cell_angle_gamma   70.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIO2
_chemical_formula_sum   'K4 I4 O8'
_cell_volume   311.91
_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  0.0  0.69  0.7  1.0
  K  K1  1  0.0  0.08  0.7  1.0
  K  K2  1  0.31  0.38  0.11  1.0
  K  K3  1  0.69  0.38  0.11  1.0
  I  I4  1  0.0  0.69  0.51  1.0
  I  I5  1  0.38  0.69  0.7  1.0
  I  I6  1  0.69  0.0  0.11  1.0
  I  I7  1  0.69  0.38  0.3  1.0
  O  O8  1  0.37  0.0  1.0  1.0
  O  O9  1  0.01  0.38  0.19  1.0
  O  O10  1  0.38  0.37  0.59  1.0
  O  O11  1  0.01  0.0  0.21  1.0
  O  O12  1  0.38  0.63  0.59  1.0
  O  O13  1  0.76  0.0  0.21  1.0
  O  O14  1  0.38  0.01  0.81  1.0
  O  O15  1  0.0  0.37  0.62  1.0

data_KIO2
_symmetry_space_group_name_H-M   C2
_cell_length_a   9.57
_cell_length_b   9.57
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   125.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   5
_chemical_formula_structural   KIO2
_chemical_formula_sum   'K8 I8 O16'
_cell_volume   623.83
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, y, -z'
  3  'x+1/2, y+1/2, z'
  4  '-x+1/2, y+1/2, -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  4  0.05  0.33  0.89  1.0
  K  K1  4  0.14  0.13  0.49  1.0
  I  I2  4  0.05  0.13  0.7  1.0
  I  I3  4  0.05  0.94  0.89  1.0
  O  O4  4  0.0  0.78  0.32  1.0
  O  O5  4  0.1  0.1  0.11  1.0
  O  O6  4  0.12  0.91  0.94  1.0
  O  O7  4  0.22  0.97  0.73  1.0

K K K K I I I I O O O O O O O O
K K K K I I I I O O O O O O O O 0 4 o o o 0 15 o o o 1 13 - o o 1 15 o o o 1 9 o o + 1 14 o o o 1 8 o o o 1 4 o - o 1 2 o o + 2 15 o o - 2 9 o o o 2 14 o o - 2 8 o o - 2 7 o o o 2 12 o o o 3 7 o o o 3 9 + o o 4 9 o o o 5 12 o o o 5 8 o + o 5 9 o o o 5 10 o o o 6 13 o o o 6 11 + o o 6 14 o o - 6 15 + o o 7 15 + o o 8 14 o o o 9 10 o o o 9 12 o o o 10 12 o o o 11 13 - o o 11 15 o o o 13 15 + o o 
KO2I crystallizes in the monoclinic C2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to one O(1), one O(2), one O(3), and one I(1) atom. The K(1)-O(1) bond length is 2.99 Å. The K(1)-O(2) bond length is 2.26 Å. The K(1)-O(3) bond length is 3.12 Å. The K(1)-I(1) bond length is 1.60 Å. In the second K site, K(2) is bonded in a 7-coordinate geometry to one K(2), one O(4), two equivalent O(1), two equivalent O(2), and one I(1) atom. The K(2)-K(2) bond length is 2.41 Å. The K(2)-O(4) bond length is 2.71 Å. There is one shorter (2.57 Å) and one longer (2.64 Å) K(2)-O(1) bond length. There is one shorter (2.95 Å) and one longer (2.96 Å) K(2)-O(2) bond length. The K(2)-I(1) bond length is 2.44 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one K(1), two equivalent K(2), one O(1), one I(1), and two equivalent I(2) atoms. The O(1)-O(1) bond length is 1.70 Å. The O(1)-I(1) bond length is 2.69 Å. There is one shorter (2.09 Å) and one longer (2.17 Å) O(1)-I(2) bond length. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one I(1) atom. The O(2)-I(1) bond length is 2.18 Å. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one K(1) and one I(2) atom. The O(3)-I(2) bond length is 2.17 Å. In the fourth O site, O(4) is bonded in a single-bond geometry to one K(2) and one I(2) atom. The O(4)-I(2) bond length is 0.68 Å. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), one O(1), and one O(2) atom. In the second I site, I(2) is bonded in a single-bond geometry to one O(3), one O(4), and two equivalent O(1) atoms.