The material described by NdNbO2 crystallizes in the tetragonal I4_1/amd space group. Nd(1) is bonded to six equivalent O(1) atoms to form edge-sharing NdO6 octahedra. Nb(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to three equivalent Nd(1) and two equivalent Nb(1) atoms to form a mixture of distorted edge and corner-sharing ONd3Nb2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdNbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.478
_cell_length_b   7.478
_cell_length_c   7.478
_cell_angle_alpha   129.888
_cell_angle_beta   129.888
_cell_angle_gamma   73.585
_symmetry_Int_Tables_number   1
_cell_volume   240.293
_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  0.875  0.625  0.250  1.0
  Nd  Nd1  1  0.375  0.625  0.750  1.0
  Nd  Nd2  1  0.375  0.625  0.250  1.0
  Nd  Nd3  1  0.375  0.125  0.750  1.0
  Nb  Nb4  1  0.375  0.125  0.250  1.0
  Nb  Nb5  1  0.875  0.125  0.750  1.0
  Nb  Nb6  1  0.875  0.125  0.250  1.0
  Nb  Nb7  1  0.875  0.625  0.750  1.0
  O  O8  1  0.174  0.391  0.217  1.0
  O  O9  1  0.174  0.958  0.783  1.0
  O  O10  1  0.141  0.424  0.717  1.0
  O  O11  1  0.576  0.859  0.283  1.0
  O  O12  1  0.708  0.424  0.283  1.0
  O  O13  1  0.576  0.292  0.717  1.0
  O  O14  1  0.609  0.826  0.783  1.0
  O  O15  1  0.042  0.826  0.217  1.0
[/CIF]
.
The material described by NdNbO2 crystallizes in the tetragonal I4_1/amd space group. Nd(1) is bonded to six equivalent O(1) atoms to form edge-sharing NdO6 octahedra. Nb(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to three equivalent Nd(1) and two equivalent Nb(1) atoms to form a mixture of distorted edge and corner-sharing ONd3Nb2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdNbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.478
_cell_length_b   7.478
_cell_length_c   7.478
_cell_angle_alpha   129.888
_cell_angle_beta   129.888
_cell_angle_gamma   73.585
_symmetry_Int_Tables_number   1
_cell_volume   240.293
_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  0.875  0.625  0.250  1.0
  Nd  Nd1  1  0.375  0.625  0.750  1.0
  Nd  Nd2  1  0.375  0.625  0.250  1.0
  Nd  Nd3  1  0.375  0.125  0.750  1.0
  Nb  Nb4  1  0.375  0.125  0.250  1.0
  Nb  Nb5  1  0.875  0.125  0.750  1.0
  Nb  Nb6  1  0.875  0.125  0.250  1.0
  Nb  Nb7  1  0.875  0.625  0.750  1.0
  O  O8  1  0.174  0.391  0.217  1.0
  O  O9  1  0.174  0.958  0.783  1.0
  O  O10  1  0.141  0.424  0.717  1.0
  O  O11  1  0.576  0.859  0.283  1.0
  O  O12  1  0.708  0.424  0.283  1.0
  O  O13  1  0.576  0.292  0.717  1.0
  O  O14  1  0.609  0.826  0.783  1.0
  O  O15  1  0.042  0.826  0.217  1.0
[/CIF]
.