The material structure described by NdO2 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Nd(1) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one O(2) atom. is represented by the CIF file [CIF]
data_NdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.915
_cell_length_b   3.915
_cell_length_c   6.509
_cell_angle_alpha   83.261
_cell_angle_beta   83.261
_cell_angle_gamma   62.008
_symmetry_Int_Tables_number   1
_cell_volume   87.248
_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  0.802  0.802  0.231  1.0
  Nd  Nd1  1  0.198  0.198  0.769  1.0
  O  O2  1  0.848  0.848  0.858  1.0
  O  O3  1  0.152  0.152  0.142  1.0
  O  O4  1  0.578  0.578  0.572  1.0
  O  O5  1  0.422  0.422  0.428  1.0
[/CIF]
.
The material structure described by NdO2 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Nd(1) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one O(2) atom. is represented by the CIF file [CIF]
data_NdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.915
_cell_length_b   3.915
_cell_length_c   6.509
_cell_angle_alpha   83.261
_cell_angle_beta   83.261
_cell_angle_gamma   62.008
_symmetry_Int_Tables_number   1
_cell_volume   87.248
_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  0.802  0.802  0.231  1.0
  Nd  Nd1  1  0.198  0.198  0.769  1.0
  O  O2  1  0.848  0.848  0.858  1.0
  O  O3  1  0.152  0.152  0.142  1.0
  O  O4  1  0.578  0.578  0.572  1.0
  O  O5  1  0.422  0.422  0.428  1.0
[/CIF]
.