The structure described by NdO2 is Baddeleyite structured and crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded to three equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NdO7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) atoms. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.854
_cell_length_b   5.826
_cell_length_c   5.907
_cell_angle_alpha   80.862
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.892
_cell_formula_units_Z   4
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  0.527  0.287  0.288  1.0
  Nd  Nd1  1  0.973  0.787  0.288  1.0
  Nd  Nd2  1  0.027  0.213  0.712  1.0
  Nd  Nd3  1  0.473  0.713  0.712  1.0
  O  O4  1  0.838  0.161  0.071  1.0
  O  O5  1  0.662  0.661  0.071  1.0
  O  O6  1  0.253  0.010  0.469  1.0
  O  O7  1  0.247  0.510  0.469  1.0
  O  O8  1  0.753  0.490  0.531  1.0
  O  O9  1  0.747  0.990  0.531  1.0
  O  O10  1  0.338  0.339  0.929  1.0
  O  O11  1  0.162  0.839  0.929  1.0
[/CIF]
.
The structure described by NdO2 is Baddeleyite structured and crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded to three equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NdO7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) atoms. In the second O site, O(2) is bonded to four equivalent Nd(1) atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.854
_cell_length_b   5.826
_cell_length_c   5.907
_cell_angle_alpha   80.862
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.892
_cell_formula_units_Z   4
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  0.527  0.287  0.288  1.0
  Nd  Nd1  1  0.973  0.787  0.288  1.0
  Nd  Nd2  1  0.027  0.213  0.712  1.0
  Nd  Nd3  1  0.473  0.713  0.712  1.0
  O  O4  1  0.838  0.161  0.071  1.0
  O  O5  1  0.662  0.661  0.071  1.0
  O  O6  1  0.253  0.010  0.469  1.0
  O  O7  1  0.247  0.510  0.469  1.0
  O  O8  1  0.753  0.490  0.531  1.0
  O  O9  1  0.747  0.990  0.531  1.0
  O  O10  1  0.338  0.339  0.929  1.0
  O  O11  1  0.162  0.839  0.929  1.0
[/CIF]
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