The crystal structure described by Nd(IO3)3 crystallizes in the orthorhombic Pmmn space group. Nd(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one I(1), and one I(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nd(1) and two equivalent I(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1) and two equivalent I(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one I(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. is represented by the CIF card [CIF]
data_Nd(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.884
_cell_length_b   8.295
_cell_length_c   6.674
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.109
_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
  Nd  Nd0  1  0.500  0.000  0.621  1.0
  Nd  Nd1  1  0.000  0.500  0.379  1.0
  I  I2  1  0.000  0.796  0.865  1.0
  I  I3  1  0.000  0.204  0.865  1.0
  I  I4  1  0.500  0.704  0.135  1.0
  I  I5  1  0.500  0.296  0.135  1.0
  I  I6  1  0.500  0.500  0.593  1.0
  I  I7  1  0.000  0.000  0.407  1.0
  O  O8  1  0.819  0.858  0.539  1.0
  O  O9  1  0.819  0.142  0.539  1.0
  O  O10  1  0.181  0.858  0.539  1.0
  O  O11  1  0.181  0.142  0.539  1.0
  O  O12  1  0.681  0.642  0.461  1.0
  O  O13  1  0.681  0.358  0.461  1.0
  O  O14  1  0.319  0.642  0.461  1.0
  O  O15  1  0.319  0.358  0.461  1.0
  O  O16  1  0.500  0.000  0.271  1.0
  O  O17  1  0.000  0.500  0.729  1.0
  O  O18  1  0.180  0.000  0.910  1.0
  O  O19  1  0.820  0.000  0.910  1.0
  O  O20  1  0.320  0.500  0.090  1.0
  O  O21  1  0.680  0.500  0.090  1.0
  O  O22  1  0.500  0.761  0.864  1.0
  O  O23  1  0.500  0.239  0.864  1.0
  O  O24  1  0.000  0.739  0.136  1.0
  O  O25  1  0.000  0.261  0.136  1.0
[/CIF]
.
The crystal structure described by Nd(IO3)3 crystallizes in the orthorhombic Pmmn space group. Nd(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), one I(1), and one I(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nd(1) and two equivalent I(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1) and two equivalent I(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one I(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. is represented by the CIF card [CIF]
data_Nd(IO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.884
_cell_length_b   8.295
_cell_length_c   6.674
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.109
_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
  Nd  Nd0  1  0.500  0.000  0.621  1.0
  Nd  Nd1  1  0.000  0.500  0.379  1.0
  I  I2  1  0.000  0.796  0.865  1.0
  I  I3  1  0.000  0.204  0.865  1.0
  I  I4  1  0.500  0.704  0.135  1.0
  I  I5  1  0.500  0.296  0.135  1.0
  I  I6  1  0.500  0.500  0.593  1.0
  I  I7  1  0.000  0.000  0.407  1.0
  O  O8  1  0.819  0.858  0.539  1.0
  O  O9  1  0.819  0.142  0.539  1.0
  O  O10  1  0.181  0.858  0.539  1.0
  O  O11  1  0.181  0.142  0.539  1.0
  O  O12  1  0.681  0.642  0.461  1.0
  O  O13  1  0.681  0.358  0.461  1.0
  O  O14  1  0.319  0.642  0.461  1.0
  O  O15  1  0.319  0.358  0.461  1.0
  O  O16  1  0.500  0.000  0.271  1.0
  O  O17  1  0.000  0.500  0.729  1.0
  O  O18  1  0.180  0.000  0.910  1.0
  O  O19  1  0.820  0.000  0.910  1.0
  O  O20  1  0.320  0.500  0.090  1.0
  O  O21  1  0.680  0.500  0.090  1.0
  O  O22  1  0.500  0.761  0.864  1.0
  O  O23  1  0.500  0.239  0.864  1.0
  O  O24  1  0.000  0.739  0.136  1.0
  O  O25  1  0.000  0.261  0.136  1.0
[/CIF]
.