The material structure described by Zr(O3I)4 crystallizes in the tetragonal P4/n space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zr(1) and one I(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zr(1) and one I(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent I(1) atoms. I(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr(IO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.413
_cell_length_b   8.413
_cell_length_c   7.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.288
_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
  Zr  Zr0  1  0.000  0.500  0.057  1.0
  Zr  Zr1  1  0.500  0.000  0.943  1.0
  I  I2  1  0.752  0.719  0.727  1.0
  I  I3  1  0.781  0.252  0.727  1.0
  I  I4  1  0.281  0.752  0.273  1.0
  I  I5  1  0.252  0.219  0.273  1.0
  I  I6  1  0.748  0.781  0.273  1.0
  I  I7  1  0.719  0.248  0.273  1.0
  I  I8  1  0.248  0.281  0.727  1.0
  I  I9  1  0.219  0.748  0.727  1.0
  O  O10  1  0.204  0.590  0.902  1.0
  O  O11  1  0.090  0.296  0.902  1.0
  O  O12  1  0.910  0.704  0.902  1.0
  O  O13  1  0.796  0.410  0.902  1.0
  O  O14  1  0.296  0.910  0.098  1.0
  O  O15  1  0.410  0.204  0.098  1.0
  O  O16  1  0.590  0.796  0.098  1.0
  O  O17  1  0.704  0.090  0.098  1.0
  O  O18  1  0.425  0.793  0.781  1.0
  O  O19  1  0.293  0.075  0.781  1.0
  O  O20  1  0.749  0.399  0.552  1.0
  O  O21  1  0.899  0.751  0.552  1.0
  O  O22  1  0.101  0.249  0.552  1.0
  O  O23  1  0.251  0.601  0.552  1.0
  O  O24  1  0.751  0.101  0.448  1.0
  O  O25  1  0.601  0.749  0.448  1.0
  O  O26  1  0.399  0.251  0.448  1.0
  O  O27  1  0.249  0.899  0.448  1.0
  O  O28  1  0.925  0.293  0.219  1.0
  O  O29  1  0.793  0.575  0.219  1.0
  O  O30  1  0.207  0.425  0.219  1.0
  O  O31  1  0.075  0.707  0.219  1.0
  O  O32  1  0.575  0.207  0.781  1.0
  O  O33  1  0.707  0.925  0.781  1.0
[/CIF]
.
The material structure described by Zr(O3I)4 crystallizes in the tetragonal P4/n space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zr(1) and one I(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zr(1) and one I(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent I(1) atoms. I(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr(IO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.413
_cell_length_b   8.413
_cell_length_c   7.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   523.288
_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
  Zr  Zr0  1  0.000  0.500  0.057  1.0
  Zr  Zr1  1  0.500  0.000  0.943  1.0
  I  I2  1  0.752  0.719  0.727  1.0
  I  I3  1  0.781  0.252  0.727  1.0
  I  I4  1  0.281  0.752  0.273  1.0
  I  I5  1  0.252  0.219  0.273  1.0
  I  I6  1  0.748  0.781  0.273  1.0
  I  I7  1  0.719  0.248  0.273  1.0
  I  I8  1  0.248  0.281  0.727  1.0
  I  I9  1  0.219  0.748  0.727  1.0
  O  O10  1  0.204  0.590  0.902  1.0
  O  O11  1  0.090  0.296  0.902  1.0
  O  O12  1  0.910  0.704  0.902  1.0
  O  O13  1  0.796  0.410  0.902  1.0
  O  O14  1  0.296  0.910  0.098  1.0
  O  O15  1  0.410  0.204  0.098  1.0
  O  O16  1  0.590  0.796  0.098  1.0
  O  O17  1  0.704  0.090  0.098  1.0
  O  O18  1  0.425  0.793  0.781  1.0
  O  O19  1  0.293  0.075  0.781  1.0
  O  O20  1  0.749  0.399  0.552  1.0
  O  O21  1  0.899  0.751  0.552  1.0
  O  O22  1  0.101  0.249  0.552  1.0
  O  O23  1  0.251  0.601  0.552  1.0
  O  O24  1  0.751  0.101  0.448  1.0
  O  O25  1  0.601  0.749  0.448  1.0
  O  O26  1  0.399  0.251  0.448  1.0
  O  O27  1  0.249  0.899  0.448  1.0
  O  O28  1  0.925  0.293  0.219  1.0
  O  O29  1  0.793  0.575  0.219  1.0
  O  O30  1  0.207  0.425  0.219  1.0
  O  O31  1  0.075  0.707  0.219  1.0
  O  O32  1  0.575  0.207  0.781  1.0
  O  O33  1  0.707  0.925  0.781  1.0
[/CIF]
.