The structure described by Ni(IO3)2 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form edge-sharing NiO5 square pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ni(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one I(1) and one I(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one I(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ni(1) 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(2), 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 CIF file [CIF]
data_Ni(IO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.872
_cell_length_b   6.660
_cell_length_c   8.606
_cell_angle_alpha   62.437
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.404
_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
  Ni  Ni0  1  0.905  0.109  0.086  1.0
  Ni  Ni1  1  0.405  0.891  0.414  1.0
  Ni  Ni2  1  0.595  0.109  0.586  1.0
  Ni  Ni3  1  0.095  0.891  0.914  1.0
  I  I4  1  0.206  0.361  0.927  1.0
  I  I5  1  0.706  0.639  0.573  1.0
  I  I6  1  0.083  0.769  0.477  1.0
  I  I7  1  0.583  0.231  0.023  1.0
  I  I8  1  0.417  0.769  0.977  1.0
  I  I9  1  0.917  0.231  0.523  1.0
  I  I10  1  0.294  0.361  0.427  1.0
  I  I11  1  0.794  0.639  0.073  1.0
  O  O12  1  0.078  0.148  0.982  1.0
  O  O13  1  0.899  0.399  0.642  1.0
  O  O14  1  0.609  0.406  0.595  1.0
  O  O15  1  0.217  0.442  0.694  1.0
  O  O16  1  0.717  0.558  0.806  1.0
  O  O17  1  0.718  0.044  0.113  1.0
  O  O18  1  0.459  0.035  0.157  1.0
  O  O19  1  0.109  0.594  0.905  1.0
  O  O20  1  0.959  0.965  0.343  1.0
  O  O21  1  0.218  0.956  0.387  1.0
  O  O22  1  0.399  0.601  0.858  1.0
  O  O23  1  0.578  0.852  0.518  1.0
  O  O24  1  0.422  0.148  0.482  1.0
  O  O25  1  0.601  0.399  0.142  1.0
  O  O26  1  0.782  0.044  0.613  1.0
  O  O27  1  0.041  0.035  0.657  1.0
  O  O28  1  0.891  0.406  0.095  1.0
  O  O29  1  0.541  0.965  0.843  1.0
  O  O30  1  0.282  0.956  0.887  1.0
  O  O31  1  0.283  0.442  0.194  1.0
  O  O32  1  0.783  0.558  0.306  1.0
  O  O33  1  0.391  0.594  0.405  1.0
  O  O34  1  0.101  0.601  0.358  1.0
  O  O35  1  0.922  0.852  0.018  1.0
[/CIF]
.
The structure described by Ni(IO3)2 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form edge-sharing NiO5 square pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ni(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one I(1) and one I(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one I(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ni(1) 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(2), 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 CIF file [CIF]
data_Ni(IO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.872
_cell_length_b   6.660
_cell_length_c   8.606
_cell_angle_alpha   62.437
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.404
_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
  Ni  Ni0  1  0.905  0.109  0.086  1.0
  Ni  Ni1  1  0.405  0.891  0.414  1.0
  Ni  Ni2  1  0.595  0.109  0.586  1.0
  Ni  Ni3  1  0.095  0.891  0.914  1.0
  I  I4  1  0.206  0.361  0.927  1.0
  I  I5  1  0.706  0.639  0.573  1.0
  I  I6  1  0.083  0.769  0.477  1.0
  I  I7  1  0.583  0.231  0.023  1.0
  I  I8  1  0.417  0.769  0.977  1.0
  I  I9  1  0.917  0.231  0.523  1.0
  I  I10  1  0.294  0.361  0.427  1.0
  I  I11  1  0.794  0.639  0.073  1.0
  O  O12  1  0.078  0.148  0.982  1.0
  O  O13  1  0.899  0.399  0.642  1.0
  O  O14  1  0.609  0.406  0.595  1.0
  O  O15  1  0.217  0.442  0.694  1.0
  O  O16  1  0.717  0.558  0.806  1.0
  O  O17  1  0.718  0.044  0.113  1.0
  O  O18  1  0.459  0.035  0.157  1.0
  O  O19  1  0.109  0.594  0.905  1.0
  O  O20  1  0.959  0.965  0.343  1.0
  O  O21  1  0.218  0.956  0.387  1.0
  O  O22  1  0.399  0.601  0.858  1.0
  O  O23  1  0.578  0.852  0.518  1.0
  O  O24  1  0.422  0.148  0.482  1.0
  O  O25  1  0.601  0.399  0.142  1.0
  O  O26  1  0.782  0.044  0.613  1.0
  O  O27  1  0.041  0.035  0.657  1.0
  O  O28  1  0.891  0.406  0.095  1.0
  O  O29  1  0.541  0.965  0.843  1.0
  O  O30  1  0.282  0.956  0.887  1.0
  O  O31  1  0.283  0.442  0.194  1.0
  O  O32  1  0.783  0.558  0.306  1.0
  O  O33  1  0.391  0.594  0.405  1.0
  O  O34  1  0.101  0.601  0.358  1.0
  O  O35  1  0.922  0.852  0.018  1.0
[/CIF]
.