The material described by NdO10I3 crystallizes in the monoclinic P2_1 space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Nd(1) and one I(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Nd(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Nd(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Nd(1) and one I(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one I(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one I(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one I(3) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. In the third I site, I(3) is bonded in a 4-coordinate geometry to one O(10), one O(7), one O(8), and one O(9) atom. is represented by the CIF card [CIF]
data_NdI3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.700
_cell_length_b   7.519
_cell_length_c   10.222
_cell_angle_alpha   70.004
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.897
_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  0.001  0.263  0.812  1.0
  Nd  Nd1  1  0.501  0.737  0.188  1.0
  I  I2  1  0.475  0.030  0.776  1.0
  I  I3  1  0.975  0.970  0.224  1.0
  I  I4  1  0.028  0.670  0.960  1.0
  I  I5  1  0.528  0.330  0.040  1.0
  I  I6  1  0.129  0.392  0.420  1.0
  I  I7  1  0.629  0.608  0.580  1.0
  O  O8  1  0.364  0.202  0.849  1.0
  O  O9  1  0.864  0.798  0.151  1.0
  O  O10  1  0.711  0.155  0.720  1.0
  O  O11  1  0.211  0.845  0.280  1.0
  O  O12  1  0.556  0.851  0.937  1.0
  O  O13  1  0.056  0.149  0.063  1.0
  O  O14  1  0.142  0.546  0.852  1.0
  O  O15  1  0.642  0.454  0.148  1.0
  O  O16  1  0.100  0.913  0.859  1.0
  O  O17  1  0.600  0.087  0.141  1.0
  O  O18  1  0.218  0.601  0.097  1.0
  O  O19  1  0.718  0.399  0.903  1.0
  O  O20  1  0.394  0.462  0.389  1.0
  O  O21  1  0.894  0.538  0.611  1.0
  O  O22  1  0.132  0.205  0.340  1.0
  O  O23  1  0.632  0.795  0.660  1.0
  O  O24  1  0.161  0.246  0.603  1.0
  O  O25  1  0.661  0.754  0.397  1.0
  O  O26  1  0.824  0.230  0.415  1.0
  O  O27  1  0.324  0.770  0.585  1.0
[/CIF]
.
The material described by NdO10I3 crystallizes in the monoclinic P2_1 space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Nd(1) and one I(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Nd(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Nd(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nd(1) and one I(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Nd(1) and one I(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one I(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one I(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one I(3) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. In the third I site, I(3) is bonded in a 4-coordinate geometry to one O(10), one O(7), one O(8), and one O(9) atom. is represented by the CIF card [CIF]
data_NdI3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.700
_cell_length_b   7.519
_cell_length_c   10.222
_cell_angle_alpha   70.004
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.897
_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  0.001  0.263  0.812  1.0
  Nd  Nd1  1  0.501  0.737  0.188  1.0
  I  I2  1  0.475  0.030  0.776  1.0
  I  I3  1  0.975  0.970  0.224  1.0
  I  I4  1  0.028  0.670  0.960  1.0
  I  I5  1  0.528  0.330  0.040  1.0
  I  I6  1  0.129  0.392  0.420  1.0
  I  I7  1  0.629  0.608  0.580  1.0
  O  O8  1  0.364  0.202  0.849  1.0
  O  O9  1  0.864  0.798  0.151  1.0
  O  O10  1  0.711  0.155  0.720  1.0
  O  O11  1  0.211  0.845  0.280  1.0
  O  O12  1  0.556  0.851  0.937  1.0
  O  O13  1  0.056  0.149  0.063  1.0
  O  O14  1  0.142  0.546  0.852  1.0
  O  O15  1  0.642  0.454  0.148  1.0
  O  O16  1  0.100  0.913  0.859  1.0
  O  O17  1  0.600  0.087  0.141  1.0
  O  O18  1  0.218  0.601  0.097  1.0
  O  O19  1  0.718  0.399  0.903  1.0
  O  O20  1  0.394  0.462  0.389  1.0
  O  O21  1  0.894  0.538  0.611  1.0
  O  O22  1  0.132  0.205  0.340  1.0
  O  O23  1  0.632  0.795  0.660  1.0
  O  O24  1  0.161  0.246  0.603  1.0
  O  O25  1  0.661  0.754  0.397  1.0
  O  O26  1  0.824  0.230  0.415  1.0
  O  O27  1  0.324  0.770  0.585  1.0
[/CIF]
.