The material structure described by Nd2O3 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to twelve equivalent O(1) atoms to form NdO12 cuboctahedra that share corners with twelve equivalent Nd(1)O12 cuboctahedra, faces with six equivalent Nd(1)O12 cuboctahedra, and faces with eight equivalent Nd(2)O6 octahedra. In the second Nd site, Nd(2) is bonded to six equivalent O(1) atoms to form NdO6 octahedra that share corners with six equivalent Nd(2)O6 octahedra and faces with eight equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent Nd(2) and four equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_Nd2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.501
_cell_length_b   4.501
_cell_length_c   4.501
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.195
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.000  0.500  0.500  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by Nd2O3 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to twelve equivalent O(1) atoms to form NdO12 cuboctahedra that share corners with twelve equivalent Nd(1)O12 cuboctahedra, faces with six equivalent Nd(1)O12 cuboctahedra, and faces with eight equivalent Nd(2)O6 octahedra. In the second Nd site, Nd(2) is bonded to six equivalent O(1) atoms to form NdO6 octahedra that share corners with six equivalent Nd(2)O6 octahedra and faces with eight equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent Nd(2) and four equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_Nd2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.501
_cell_length_b   4.501
_cell_length_c   4.501
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.195
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.000  0.500  0.500  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.500  0.500  0.000  1.0
[/CIF]
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