The material described by NdNb3O9 crystallizes in the triclinic P-1 space group. Nd(1) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(8), two equivalent O(3), two equivalent O(7), and three equivalent O(4) atoms. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 5-24°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(8) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. In the third Nb site, Nb(3) is bonded to one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Nd(1), one Nb(1), and one Nb(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Nd(1), one Nb(1), and one Nb(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Nb(1), and one Nb(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nd(1), one Nb(1), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Nd(1), one Nb(2), and one Nb(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Nb(1), and one Nb(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Nd(1), one Nb(2), and one Nb(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to two equivalent Nb(3) atoms. In the tenth O site, O(10) is bonded in a linear geometry to two equivalent Nd(1) and two equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdNb3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.809
_cell_length_b   5.665
_cell_length_c   8.905
_cell_angle_alpha   72.014
_cell_angle_beta   63.956
_cell_angle_gamma   45.641
_symmetry_Int_Tables_number   1
_cell_volume   382.691
_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  0.345  0.957  0.002  1.0
  Nd  Nd1  1  0.655  0.043  0.998  1.0
  Nb  Nb2  1  0.246  0.477  0.267  1.0
  Nb  Nb3  1  0.075  0.539  0.752  1.0
  Nb  Nb4  1  0.597  0.454  0.260  1.0
  Nb  Nb5  1  0.403  0.546  0.740  1.0
  Nb  Nb6  1  0.925  0.461  0.248  1.0
  Nb  Nb7  1  0.754  0.523  0.733  1.0
  O  O8  1  0.099  0.998  0.233  1.0
  O  O9  1  0.092  0.497  0.229  1.0
  O  O10  1  0.429  0.014  0.211  1.0
  O  O11  1  0.359  0.503  0.001  1.0
  O  O12  1  0.170  0.488  0.505  1.0
  O  O13  1  0.247  0.999  0.770  1.0
  O  O14  1  0.412  0.530  0.242  1.0
  O  O15  1  0.259  0.451  0.778  1.0
  O  O16  1  0.500  0.500  0.500  1.0
  O  O17  1  0.753  0.001  0.230  1.0
  O  O18  1  0.641  0.497  0.999  1.0
  O  O19  1  0.571  0.986  0.789  1.0
  O  O20  1  0.741  0.549  0.222  1.0
  O  O21  1  0.588  0.470  0.758  1.0
  O  O22  1  0.000  0.500  0.000  1.0
  O  O23  1  0.830  0.512  0.495  1.0
  O  O24  1  0.901  0.002  0.767  1.0
  O  O25  1  0.908  0.503  0.771  1.0
[/CIF]
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The material described by NdNb3O9 crystallizes in the triclinic P-1 space group. Nd(1) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(8), two equivalent O(3), two equivalent O(7), and three equivalent O(4) atoms. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 5-24°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(8) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. In the third Nb site, Nb(3) is bonded to one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Nd(1), one Nb(1), and one Nb(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Nd(1), one Nb(1), and one Nb(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Nb(1), and one Nb(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nd(1), one Nb(1), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Nd(1), one Nb(2), and one Nb(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Nb(1), and one Nb(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Nd(1), one Nb(2), and one Nb(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to two equivalent Nb(3) atoms. In the tenth O site, O(10) is bonded in a linear geometry to two equivalent Nd(1) and two equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdNb3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.809
_cell_length_b   5.665
_cell_length_c   8.905
_cell_angle_alpha   72.014
_cell_angle_beta   63.956
_cell_angle_gamma   45.641
_symmetry_Int_Tables_number   1
_cell_volume   382.691
_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  0.345  0.957  0.002  1.0
  Nd  Nd1  1  0.655  0.043  0.998  1.0
  Nb  Nb2  1  0.246  0.477  0.267  1.0
  Nb  Nb3  1  0.075  0.539  0.752  1.0
  Nb  Nb4  1  0.597  0.454  0.260  1.0
  Nb  Nb5  1  0.403  0.546  0.740  1.0
  Nb  Nb6  1  0.925  0.461  0.248  1.0
  Nb  Nb7  1  0.754  0.523  0.733  1.0
  O  O8  1  0.099  0.998  0.233  1.0
  O  O9  1  0.092  0.497  0.229  1.0
  O  O10  1  0.429  0.014  0.211  1.0
  O  O11  1  0.359  0.503  0.001  1.0
  O  O12  1  0.170  0.488  0.505  1.0
  O  O13  1  0.247  0.999  0.770  1.0
  O  O14  1  0.412  0.530  0.242  1.0
  O  O15  1  0.259  0.451  0.778  1.0
  O  O16  1  0.500  0.500  0.500  1.0
  O  O17  1  0.753  0.001  0.230  1.0
  O  O18  1  0.641  0.497  0.999  1.0
  O  O19  1  0.571  0.986  0.789  1.0
  O  O20  1  0.741  0.549  0.222  1.0
  O  O21  1  0.588  0.470  0.758  1.0
  O  O22  1  0.000  0.500  0.000  1.0
  O  O23  1  0.830  0.512  0.495  1.0
  O  O24  1  0.901  0.002  0.767  1.0
  O  O25  1  0.908  0.503  0.771  1.0
[/CIF]
.