The material structure described by Nd2O3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), two equivalent O(3), and three equivalent O(5) atoms. In the third Nd site, Nd(3) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Nd(3) atoms to form ONd4 tetrahedra that share corners with two equivalent O(4)Nd6 octahedra, corners with two equivalent O(3)Nd5 square pyramids, corners with two equivalent O(1)Nd4 tetrahedra, corners with two equivalent O(5)Nd4 tetrahedra,  an edgeedge with one O(4)Nd6 octahedra, edges with two equivalent O(3)Nd5 square pyramids, and  an edgeedge with one O(1)Nd4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Nd(2) and three equivalent Nd(1) atoms. In the third O site, O(3) is bonded to one Nd(3), two equivalent Nd(1), and two equivalent Nd(2) atoms to form distorted ONd5 square pyramids that share corners with two equivalent O(1)Nd4 tetrahedra, corners with five equivalent O(5)Nd4 tetrahedra, edges with two equivalent O(4)Nd6 octahedra, edges with two equivalent O(3)Nd5 square pyramids,  an edgeedge with one O(5)Nd4 tetrahedra, and edges with two equivalent O(1)Nd4 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Nd(2) and four equivalent Nd(3) atoms to form ONd6 octahedra that share corners with two equivalent O(5)Nd4 tetrahedra, corners with four equivalent O(1)Nd4 tetrahedra, edges with two equivalent O(4)Nd6 octahedra, edges with four equivalent O(3)Nd5 square pyramids, edges with two equivalent O(1)Nd4 tetrahedra, and edges with four equivalent O(5)Nd4 tetrahedra. In the fifth O site, O(5) is bonded to one Nd(3) and three equivalent Nd(2) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(4)Nd6 octahedra, corners with five equivalent O(3)Nd5 square pyramids, corners with two equivalent O(1)Nd4 tetrahedra, corners with two equivalent O(5)Nd4 tetrahedra, edges with two equivalent O(4)Nd6 octahedra,  an edgeedge with one O(3)Nd5 square pyramid, and edges with two equivalent O(5)Nd4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. is represented by the CIF card [CIF]
data_Nd2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.690
_cell_length_b   7.439
_cell_length_c   9.007
_cell_angle_alpha   99.518
_cell_angle_beta   90.000
_cell_angle_gamma   104.361
_symmetry_Int_Tables_number   1
_cell_volume   235.993
_cell_formula_units_Z   3
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  0.635  0.269  0.489  1.0
  Nd  Nd1  1  0.365  0.731  0.511  1.0
  Nd  Nd2  1  0.310  0.619  0.862  1.0
  Nd  Nd3  1  0.966  0.932  0.188  1.0
  Nd  Nd4  1  0.690  0.381  0.138  1.0
  Nd  Nd5  1  0.034  0.068  0.812  1.0
  O  O6  1  0.474  0.948  0.344  1.0
  O  O7  1  0.526  0.052  0.656  1.0
  O  O8  1  0.202  0.404  0.627  1.0
  O  O9  1  0.129  0.259  0.286  1.0
  O  O10  1  0.500  0.000  0.000  1.0
  O  O11  1  0.871  0.741  0.714  1.0
  O  O12  1  0.825  0.649  0.026  1.0
  O  O13  1  0.175  0.351  0.974  1.0
  O  O14  1  0.798  0.596  0.373  1.0
[/CIF]
.
The material structure described by Nd2O3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), two equivalent O(3), and three equivalent O(5) atoms. In the third Nd site, Nd(3) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Nd(3) atoms to form ONd4 tetrahedra that share corners with two equivalent O(4)Nd6 octahedra, corners with two equivalent O(3)Nd5 square pyramids, corners with two equivalent O(1)Nd4 tetrahedra, corners with two equivalent O(5)Nd4 tetrahedra,  an edgeedge with one O(4)Nd6 octahedra, edges with two equivalent O(3)Nd5 square pyramids, and  an edgeedge with one O(1)Nd4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Nd(2) and three equivalent Nd(1) atoms. In the third O site, O(3) is bonded to one Nd(3), two equivalent Nd(1), and two equivalent Nd(2) atoms to form distorted ONd5 square pyramids that share corners with two equivalent O(1)Nd4 tetrahedra, corners with five equivalent O(5)Nd4 tetrahedra, edges with two equivalent O(4)Nd6 octahedra, edges with two equivalent O(3)Nd5 square pyramids,  an edgeedge with one O(5)Nd4 tetrahedra, and edges with two equivalent O(1)Nd4 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Nd(2) and four equivalent Nd(3) atoms to form ONd6 octahedra that share corners with two equivalent O(5)Nd4 tetrahedra, corners with four equivalent O(1)Nd4 tetrahedra, edges with two equivalent O(4)Nd6 octahedra, edges with four equivalent O(3)Nd5 square pyramids, edges with two equivalent O(1)Nd4 tetrahedra, and edges with four equivalent O(5)Nd4 tetrahedra. In the fifth O site, O(5) is bonded to one Nd(3) and three equivalent Nd(2) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(4)Nd6 octahedra, corners with five equivalent O(3)Nd5 square pyramids, corners with two equivalent O(1)Nd4 tetrahedra, corners with two equivalent O(5)Nd4 tetrahedra, edges with two equivalent O(4)Nd6 octahedra,  an edgeedge with one O(3)Nd5 square pyramid, and edges with two equivalent O(5)Nd4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. is represented by the CIF card [CIF]
data_Nd2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.690
_cell_length_b   7.439
_cell_length_c   9.007
_cell_angle_alpha   99.518
_cell_angle_beta   90.000
_cell_angle_gamma   104.361
_symmetry_Int_Tables_number   1
_cell_volume   235.993
_cell_formula_units_Z   3
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  0.635  0.269  0.489  1.0
  Nd  Nd1  1  0.365  0.731  0.511  1.0
  Nd  Nd2  1  0.310  0.619  0.862  1.0
  Nd  Nd3  1  0.966  0.932  0.188  1.0
  Nd  Nd4  1  0.690  0.381  0.138  1.0
  Nd  Nd5  1  0.034  0.068  0.812  1.0
  O  O6  1  0.474  0.948  0.344  1.0
  O  O7  1  0.526  0.052  0.656  1.0
  O  O8  1  0.202  0.404  0.627  1.0
  O  O9  1  0.129  0.259  0.286  1.0
  O  O10  1  0.500  0.000  0.000  1.0
  O  O11  1  0.871  0.741  0.714  1.0
  O  O12  1  0.825  0.649  0.026  1.0
  O  O13  1  0.175  0.351  0.974  1.0
  O  O14  1  0.798  0.596  0.373  1.0
[/CIF]
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