The material described by NdO3 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(4), three equivalent O(1), and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Nd(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Nd(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Nd(1) and two equivalent O(3) atoms. In the fourth O site, O(4) is bonded in a square co-planar geometry to four equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_NdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.438
_cell_length_b   5.438
_cell_length_c   8.046
_cell_angle_alpha   54.330
_cell_angle_beta   54.330
_cell_angle_gamma   36.538
_symmetry_Int_Tables_number   1
_cell_volume   111.815
_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  0.293  0.293  0.737  1.0
  Nd  Nd1  1  0.707  0.707  0.263  1.0
  O  O2  1  0.349  0.349  0.997  1.0
  O  O3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.713  0.713  0.552  1.0
  O  O5  1  0.287  0.287  0.448  1.0
  O  O6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.651  0.651  0.003  1.0
[/CIF]
.
The material described by NdO3 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(4), three equivalent O(1), and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Nd(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Nd(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Nd(1) and two equivalent O(3) atoms. In the fourth O site, O(4) is bonded in a square co-planar geometry to four equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_NdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.438
_cell_length_b   5.438
_cell_length_c   8.046
_cell_angle_alpha   54.330
_cell_angle_beta   54.330
_cell_angle_gamma   36.538
_symmetry_Int_Tables_number   1
_cell_volume   111.815
_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  0.293  0.293  0.737  1.0
  Nd  Nd1  1  0.707  0.707  0.263  1.0
  O  O2  1  0.349  0.349  0.997  1.0
  O  O3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.713  0.713  0.552  1.0
  O  O5  1  0.287  0.287  0.448  1.0
  O  O6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.651  0.651  0.003  1.0
[/CIF]
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