The crystal structure described by Nd(IO3)3 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(6), one O(7), one O(8), two equivalent O(5), and two equivalent O(9) atoms. There are nine inequivalent O sites. In the first O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one I(2) atom. In the second O site, O(1) is bonded in a single-bond geometry to one I(3) atom. In the third O site, O(2) is bonded in a distorted water-like geometry to one Nd(1) and one I(2) atom. In the fourth O site, O(3) is bonded in a 1-coordinate geometry to two equivalent I(2) atoms. In the fifth O site, O(4) is bonded in a bent 120 degrees geometry to one Nd(1) and one I(3) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one I(1) atom. In the seventh O site, O(6) is bonded in a 2-coordinate geometry to one Nd(1) and one I(1) atom. In the eighth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one I(3) atom. In the ninth O site, O(8) is bonded in a water-like geometry to one Nd(1) and one I(1) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(5), one O(6), and one O(8) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one O(2), one O(9), and two equivalent O(3) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. is represented by the CIF card [CIF]
data_Nd(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   8.837
_cell_length_c   16.761
_cell_angle_alpha   65.413
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.537
_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
  Nd  Nd0  1  0.234  0.139  0.901  1.0
  Nd  Nd1  1  0.266  0.139  0.401  1.0
  Nd  Nd2  1  0.734  0.861  0.599  1.0
  Nd  Nd3  1  0.766  0.861  0.099  1.0
  I  I4  1  0.188  0.071  0.650  1.0
  I  I5  1  0.640  0.360  0.477  1.0
  I  I6  1  0.091  0.584  0.301  1.0
  I  I7  1  0.140  0.640  0.023  1.0
  I  I8  1  0.812  0.929  0.350  1.0
  I  I9  1  0.360  0.640  0.523  1.0
  I  I10  1  0.909  0.416  0.699  1.0
  I  I11  1  0.591  0.416  0.199  1.0
  I  I12  1  0.312  0.071  0.150  1.0
  I  I13  1  0.688  0.929  0.850  1.0
  I  I14  1  0.409  0.584  0.801  1.0
  I  I15  1  0.860  0.360  0.977  1.0
  O  O16  1  0.410  0.667  0.883  1.0
  O  O17  1  0.469  0.404  0.380  1.0
  O  O18  1  0.090  0.667  0.383  1.0
  O  O19  1  0.531  0.596  0.620  1.0
  O  O20  1  0.088  0.361  0.053  1.0
  O  O21  1  0.314  0.343  0.245  1.0
  O  O22  1  0.913  0.909  0.457  1.0
  O  O23  1  0.031  0.404  0.880  1.0
  O  O24  1  0.891  0.097  0.830  1.0
  O  O25  1  0.391  0.903  0.670  1.0
  O  O26  1  0.413  0.091  0.043  1.0
  O  O27  1  0.969  0.596  0.120  1.0
  O  O28  1  0.002  0.629  0.633  1.0
  O  O29  1  0.998  0.371  0.367  1.0
  O  O30  1  0.412  0.361  0.553  1.0
  O  O31  1  0.552  0.939  0.205  1.0
  O  O32  1  0.588  0.639  0.447  1.0
  O  O33  1  0.498  0.629  0.133  1.0
  O  O34  1  0.595  0.136  0.509  1.0
  O  O35  1  0.590  0.333  0.117  1.0
  O  O36  1  0.912  0.639  0.947  1.0
  O  O37  1  0.095  0.864  0.991  1.0
  O  O38  1  0.186  0.343  0.745  1.0
  O  O39  1  0.814  0.657  0.255  1.0
  O  O40  1  0.052  0.061  0.295  1.0
  O  O41  1  0.448  0.061  0.795  1.0
  O  O42  1  0.948  0.939  0.705  1.0
  O  O43  1  0.905  0.136  0.009  1.0
  O  O44  1  0.405  0.864  0.491  1.0
  O  O45  1  0.609  0.097  0.330  1.0
  O  O46  1  0.686  0.657  0.755  1.0
  O  O47  1  0.087  0.091  0.543  1.0
  O  O48  1  0.502  0.371  0.867  1.0
  O  O49  1  0.109  0.903  0.170  1.0
  O  O50  1  0.910  0.333  0.617  1.0
  O  O51  1  0.587  0.909  0.957  1.0
[/CIF]
.
The crystal structure described by Nd(IO3)3 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(6), one O(7), one O(8), two equivalent O(5), and two equivalent O(9) atoms. There are nine inequivalent O sites. In the first O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one I(2) atom. In the second O site, O(1) is bonded in a single-bond geometry to one I(3) atom. In the third O site, O(2) is bonded in a distorted water-like geometry to one Nd(1) and one I(2) atom. In the fourth O site, O(3) is bonded in a 1-coordinate geometry to two equivalent I(2) atoms. In the fifth O site, O(4) is bonded in a bent 120 degrees geometry to one Nd(1) and one I(3) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one I(1) atom. In the seventh O site, O(6) is bonded in a 2-coordinate geometry to one Nd(1) and one I(1) atom. In the eighth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one I(3) atom. In the ninth O site, O(8) is bonded in a water-like geometry to one Nd(1) and one I(1) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(5), one O(6), and one O(8) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one O(2), one O(9), and two equivalent O(3) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. is represented by the CIF card [CIF]
data_Nd(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   8.837
_cell_length_c   16.761
_cell_angle_alpha   65.413
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.537
_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
  Nd  Nd0  1  0.234  0.139  0.901  1.0
  Nd  Nd1  1  0.266  0.139  0.401  1.0
  Nd  Nd2  1  0.734  0.861  0.599  1.0
  Nd  Nd3  1  0.766  0.861  0.099  1.0
  I  I4  1  0.188  0.071  0.650  1.0
  I  I5  1  0.640  0.360  0.477  1.0
  I  I6  1  0.091  0.584  0.301  1.0
  I  I7  1  0.140  0.640  0.023  1.0
  I  I8  1  0.812  0.929  0.350  1.0
  I  I9  1  0.360  0.640  0.523  1.0
  I  I10  1  0.909  0.416  0.699  1.0
  I  I11  1  0.591  0.416  0.199  1.0
  I  I12  1  0.312  0.071  0.150  1.0
  I  I13  1  0.688  0.929  0.850  1.0
  I  I14  1  0.409  0.584  0.801  1.0
  I  I15  1  0.860  0.360  0.977  1.0
  O  O16  1  0.410  0.667  0.883  1.0
  O  O17  1  0.469  0.404  0.380  1.0
  O  O18  1  0.090  0.667  0.383  1.0
  O  O19  1  0.531  0.596  0.620  1.0
  O  O20  1  0.088  0.361  0.053  1.0
  O  O21  1  0.314  0.343  0.245  1.0
  O  O22  1  0.913  0.909  0.457  1.0
  O  O23  1  0.031  0.404  0.880  1.0
  O  O24  1  0.891  0.097  0.830  1.0
  O  O25  1  0.391  0.903  0.670  1.0
  O  O26  1  0.413  0.091  0.043  1.0
  O  O27  1  0.969  0.596  0.120  1.0
  O  O28  1  0.002  0.629  0.633  1.0
  O  O29  1  0.998  0.371  0.367  1.0
  O  O30  1  0.412  0.361  0.553  1.0
  O  O31  1  0.552  0.939  0.205  1.0
  O  O32  1  0.588  0.639  0.447  1.0
  O  O33  1  0.498  0.629  0.133  1.0
  O  O34  1  0.595  0.136  0.509  1.0
  O  O35  1  0.590  0.333  0.117  1.0
  O  O36  1  0.912  0.639  0.947  1.0
  O  O37  1  0.095  0.864  0.991  1.0
  O  O38  1  0.186  0.343  0.745  1.0
  O  O39  1  0.814  0.657  0.255  1.0
  O  O40  1  0.052  0.061  0.295  1.0
  O  O41  1  0.448  0.061  0.795  1.0
  O  O42  1  0.948  0.939  0.705  1.0
  O  O43  1  0.905  0.136  0.009  1.0
  O  O44  1  0.405  0.864  0.491  1.0
  O  O45  1  0.609  0.097  0.330  1.0
  O  O46  1  0.686  0.657  0.755  1.0
  O  O47  1  0.087  0.091  0.543  1.0
  O  O48  1  0.502  0.371  0.867  1.0
  O  O49  1  0.109  0.903  0.170  1.0
  O  O50  1  0.910  0.333  0.617  1.0
  O  O51  1  0.587  0.909  0.957  1.0
[/CIF]
.