The compound described by NdNbO4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing NbO6 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_NdNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.206
_cell_length_b   5.481
_cell_length_c   6.752
_cell_angle_alpha   112.286
_cell_angle_beta   110.948
_cell_angle_gamma   93.962
_symmetry_Int_Tables_number   1
_cell_volume   161.742
_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  0.121  0.371  0.742  1.0
  Nd  Nd1  1  0.879  0.629  0.258  1.0
  Nb  Nb2  1  0.644  0.894  0.787  1.0
  Nb  Nb3  1  0.356  0.106  0.213  1.0
  O  O4  1  0.786  0.945  0.584  1.0
  O  O5  1  0.298  0.638  0.584  1.0
  O  O6  1  0.214  0.055  0.416  1.0
  O  O7  1  0.702  0.362  0.416  1.0
  O  O8  1  0.083  0.275  0.065  1.0
  O  O9  1  0.482  0.790  0.065  1.0
  O  O10  1  0.917  0.725  0.935  1.0
  O  O11  1  0.518  0.210  0.935  1.0
[/CIF]
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The compound described by NdNbO4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing NbO6 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_NdNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.206
_cell_length_b   5.481
_cell_length_c   6.752
_cell_angle_alpha   112.286
_cell_angle_beta   110.948
_cell_angle_gamma   93.962
_symmetry_Int_Tables_number   1
_cell_volume   161.742
_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  0.121  0.371  0.742  1.0
  Nd  Nd1  1  0.879  0.629  0.258  1.0
  Nb  Nb2  1  0.644  0.894  0.787  1.0
  Nb  Nb3  1  0.356  0.106  0.213  1.0
  O  O4  1  0.786  0.945  0.584  1.0
  O  O5  1  0.298  0.638  0.584  1.0
  O  O6  1  0.214  0.055  0.416  1.0
  O  O7  1  0.702  0.362  0.416  1.0
  O  O8  1  0.083  0.275  0.065  1.0
  O  O9  1  0.482  0.790  0.065  1.0
  O  O10  1  0.917  0.725  0.935  1.0
  O  O11  1  0.518  0.210  0.935  1.0
[/CIF]
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