The crystal structure described by Ni(IO3)2 crystallizes in the monoclinic P2_1 space group. Ni(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one I(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(1), one I(1), and one I(2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ni(1) and one I(1) 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), one O(5), and one O(6) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni(IO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.086
_cell_length_b   5.417
_cell_length_c   9.320
_cell_angle_alpha   90.233
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.769
_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
  I  I0  1  0.486  0.261  0.069  1.0
  I  I1  1  0.986  0.739  0.931  1.0
  I  I2  1  0.003  0.269  0.401  1.0
  I  I3  1  0.503  0.731  0.599  1.0
  Ni  Ni4  1  0.414  0.767  0.255  1.0
  Ni  Ni5  1  0.914  0.233  0.745  1.0
  O  O6  1  0.209  0.663  0.078  1.0
  O  O7  1  0.709  0.337  0.922  1.0
  O  O8  1  0.191  0.556  0.395  1.0
  O  O9  1  0.691  0.444  0.605  1.0
  O  O10  1  0.639  0.472  0.198  1.0
  O  O11  1  0.139  0.528  0.802  1.0
  O  O12  1  0.135  0.152  0.569  1.0
  O  O13  1  0.635  0.848  0.431  1.0
  O  O14  1  0.206  0.091  0.277  1.0
  O  O15  1  0.706  0.909  0.723  1.0
  O  O16  1  0.155  0.017  0.870  1.0
  O  O17  1  0.655  0.983  0.130  1.0
[/CIF]
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The crystal structure described by Ni(IO3)2 crystallizes in the monoclinic P2_1 space group. Ni(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one I(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(1), one I(1), and one I(2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ni(1) and one I(1) 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), one O(5), and one O(6) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni(IO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.086
_cell_length_b   5.417
_cell_length_c   9.320
_cell_angle_alpha   90.233
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.769
_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
  I  I0  1  0.486  0.261  0.069  1.0
  I  I1  1  0.986  0.739  0.931  1.0
  I  I2  1  0.003  0.269  0.401  1.0
  I  I3  1  0.503  0.731  0.599  1.0
  Ni  Ni4  1  0.414  0.767  0.255  1.0
  Ni  Ni5  1  0.914  0.233  0.745  1.0
  O  O6  1  0.209  0.663  0.078  1.0
  O  O7  1  0.709  0.337  0.922  1.0
  O  O8  1  0.191  0.556  0.395  1.0
  O  O9  1  0.691  0.444  0.605  1.0
  O  O10  1  0.639  0.472  0.198  1.0
  O  O11  1  0.139  0.528  0.802  1.0
  O  O12  1  0.135  0.152  0.569  1.0
  O  O13  1  0.635  0.848  0.431  1.0
  O  O14  1  0.206  0.091  0.277  1.0
  O  O15  1  0.706  0.909  0.723  1.0
  O  O16  1  0.155  0.017  0.870  1.0
  O  O17  1  0.655  0.983  0.130  1.0
[/CIF]
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