The crystal structure described by CsIO3 crystallizes in the orthorhombic Pmn2_1 space group. Cs(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form a mixture of distorted corner and face-sharing CsO12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one I(1) atom. I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.669
_cell_length_b   6.602
_cell_length_c   6.615
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   203.892
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.504  0.486  0.000  1.0
  Cs  Cs1  1  0.496  0.986  0.500  1.0
  I  I2  1  0.021  0.003  0.000  1.0
  I  I3  1  0.979  0.503  0.500  1.0
  O  O4  1  0.593  0.469  0.500  1.0
  O  O5  1  0.014  0.677  0.290  1.0
  O  O6  1  0.014  0.677  0.710  1.0
  O  O7  1  0.986  0.177  0.790  1.0
  O  O8  1  0.407  0.969  0.000  1.0
  O  O9  1  0.986  0.177  0.210  1.0
[/CIF]
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The crystal structure described by CsIO3 crystallizes in the orthorhombic Pmn2_1 space group. Cs(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form a mixture of distorted corner and face-sharing CsO12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one I(1) atom. I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.669
_cell_length_b   6.602
_cell_length_c   6.615
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   203.892
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.504  0.486  0.000  1.0
  Cs  Cs1  1  0.496  0.986  0.500  1.0
  I  I2  1  0.021  0.003  0.000  1.0
  I  I3  1  0.979  0.503  0.500  1.0
  O  O4  1  0.593  0.469  0.500  1.0
  O  O5  1  0.014  0.677  0.290  1.0
  O  O6  1  0.014  0.677  0.710  1.0
  O  O7  1  0.986  0.177  0.790  1.0
  O  O8  1  0.407  0.969  0.000  1.0
  O  O9  1  0.986  0.177  0.210  1.0
[/CIF]
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