The compound described by KIO3 crystallizes in the monoclinic C2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the second K site, K(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the third K site, K(3) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one I(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(2), one K(3), one K(4), and one I(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(1), one K(2), and one I(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one K(2), one K(3), one K(4), and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.851
_cell_length_b   7.851
_cell_length_c   9.077
_cell_angle_alpha   54.801
_cell_angle_beta   54.801
_cell_angle_gamma   70.474
_symmetry_Int_Tables_number   1
_cell_volume   373.604
_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  0.997  0.003  0.500  1.0
  K  K1  1  0.497  0.503  0.000  1.0
  K  K2  1  0.004  0.996  0.000  1.0
  K  K3  1  0.507  0.493  0.500  1.0
  I  I4  1  0.487  0.977  0.037  1.0
  I  I5  1  0.971  0.491  0.505  1.0
  I  I6  1  0.509  0.029  0.495  1.0
  I  I7  1  0.023  0.513  0.963  1.0
  O  O8  1  0.195  0.736  0.789  1.0
  O  O9  1  0.737  0.195  0.278  1.0
  O  O10  1  0.691  0.775  0.050  1.0
  O  O11  1  0.264  0.805  0.211  1.0
  O  O12  1  0.456  0.038  0.219  1.0
  O  O13  1  0.764  0.690  0.509  1.0
  O  O14  1  0.225  0.309  0.950  1.0
  O  O15  1  0.805  0.263  0.722  1.0
  O  O16  1  0.013  0.474  0.291  1.0
  O  O17  1  0.526  0.987  0.709  1.0
  O  O18  1  0.310  0.236  0.491  1.0
  O  O19  1  0.962  0.544  0.781  1.0
[/CIF]
.
The compound described by KIO3 crystallizes in the monoclinic C2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the second K site, K(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the third K site, K(3) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one I(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(2), one K(3), one K(4), and one I(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(1), one K(2), and one I(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one K(2), one K(3), one K(4), and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.851
_cell_length_b   7.851
_cell_length_c   9.077
_cell_angle_alpha   54.801
_cell_angle_beta   54.801
_cell_angle_gamma   70.474
_symmetry_Int_Tables_number   1
_cell_volume   373.604
_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  0.997  0.003  0.500  1.0
  K  K1  1  0.497  0.503  0.000  1.0
  K  K2  1  0.004  0.996  0.000  1.0
  K  K3  1  0.507  0.493  0.500  1.0
  I  I4  1  0.487  0.977  0.037  1.0
  I  I5  1  0.971  0.491  0.505  1.0
  I  I6  1  0.509  0.029  0.495  1.0
  I  I7  1  0.023  0.513  0.963  1.0
  O  O8  1  0.195  0.736  0.789  1.0
  O  O9  1  0.737  0.195  0.278  1.0
  O  O10  1  0.691  0.775  0.050  1.0
  O  O11  1  0.264  0.805  0.211  1.0
  O  O12  1  0.456  0.038  0.219  1.0
  O  O13  1  0.764  0.690  0.509  1.0
  O  O14  1  0.225  0.309  0.950  1.0
  O  O15  1  0.805  0.263  0.722  1.0
  O  O16  1  0.013  0.474  0.291  1.0
  O  O17  1  0.526  0.987  0.709  1.0
  O  O18  1  0.310  0.236  0.491  1.0
  O  O19  1  0.962  0.544  0.781  1.0
[/CIF]
.