The structure described by NaNdTiNbO6F crystallizes in the orthorhombic Imma space group. Na(1) is bonded to two equivalent O(2), four equivalent O(3), and two equivalent F(1) atoms to form distorted NaO6F2 hexagonal bipyramids that share edges with two equivalent Na(1)O6F2 hexagonal bipyramids, edges with four equivalent Nd(1)O6F2 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. Nd(1) is bonded to two equivalent O(1), four equivalent O(3), and two equivalent F(1) atoms to form distorted NdO6F2 hexagonal bipyramids that share edges with two equivalent Nd(1)O6F2 hexagonal bipyramids, edges with four equivalent Na(1)O6F2 hexagonal bipyramids, edges with two equivalent Nb(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, edges with two equivalent Na(1)O6F2 hexagonal bipyramids, and edges with four equivalent Nd(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-48°. Nb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Nd(1)O6F2 hexagonal bipyramids, and edges with four equivalent Na(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Ti(1) atoms to form distorted ONd2Ti2 tetrahedra that share corners with two equivalent F(1)Na2Nd2 tetrahedra, corners with four equivalent O(1)Nd2Ti2 tetrahedra, and  an edgeedge with one F(1)Na2Nd2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Nd(1), one Ti(1), and one Nb(1) atom. F(1) is bonded to two equivalent Na(1) and two equivalent Nd(1) atoms to form FNa2Nd2 tetrahedra that share corners with two equivalent O(1)Nd2Ti2 tetrahedra, corners with four equivalent F(1)Na2Nd2 tetrahedra, and  an edgeedge with one O(1)Nd2Ti2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNdTiNbO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.364
_cell_length_b   7.364
_cell_length_c   7.364
_cell_angle_alpha   121.228
_cell_angle_beta   117.886
_cell_angle_gamma   90.793
_symmetry_Int_Tables_number   1
_cell_volume   283.976
_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
  Na  Na0  1  0.500  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Nd  Nd2  1  0.500  0.000  0.500  1.0
  Nd  Nd3  1  0.000  0.000  0.000  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  Nb  Nb6  1  0.000  0.500  0.500  1.0
  Nb  Nb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.921  0.171  0.750  1.0
  O  O9  1  0.317  0.567  0.750  1.0
  O  O10  1  0.937  0.583  0.765  1.0
  O  O11  1  0.317  0.171  0.735  1.0
  O  O12  1  0.937  0.171  0.354  1.0
  O  O13  1  0.317  0.583  0.146  1.0
  O  O14  1  0.079  0.829  0.250  1.0
  O  O15  1  0.683  0.433  0.250  1.0
  O  O16  1  0.063  0.417  0.235  1.0
  O  O17  1  0.683  0.829  0.265  1.0
  O  O18  1  0.063  0.829  0.646  1.0
  O  O19  1  0.683  0.417  0.854  1.0
  F  F20  1  0.623  0.873  0.750  1.0
  F  F21  1  0.377  0.127  0.250  1.0
[/CIF]
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The structure described by NaNdTiNbO6F crystallizes in the orthorhombic Imma space group. Na(1) is bonded to two equivalent O(2), four equivalent O(3), and two equivalent F(1) atoms to form distorted NaO6F2 hexagonal bipyramids that share edges with two equivalent Na(1)O6F2 hexagonal bipyramids, edges with four equivalent Nd(1)O6F2 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. Nd(1) is bonded to two equivalent O(1), four equivalent O(3), and two equivalent F(1) atoms to form distorted NdO6F2 hexagonal bipyramids that share edges with two equivalent Nd(1)O6F2 hexagonal bipyramids, edges with four equivalent Na(1)O6F2 hexagonal bipyramids, edges with two equivalent Nb(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, edges with two equivalent Na(1)O6F2 hexagonal bipyramids, and edges with four equivalent Nd(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-48°. Nb(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Nd(1)O6F2 hexagonal bipyramids, and edges with four equivalent Na(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent Ti(1) atoms to form distorted ONd2Ti2 tetrahedra that share corners with two equivalent F(1)Na2Nd2 tetrahedra, corners with four equivalent O(1)Nd2Ti2 tetrahedra, and  an edgeedge with one F(1)Na2Nd2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Nd(1), one Ti(1), and one Nb(1) atom. F(1) is bonded to two equivalent Na(1) and two equivalent Nd(1) atoms to form FNa2Nd2 tetrahedra that share corners with two equivalent O(1)Nd2Ti2 tetrahedra, corners with four equivalent F(1)Na2Nd2 tetrahedra, and  an edgeedge with one O(1)Nd2Ti2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNdTiNbO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.364
_cell_length_b   7.364
_cell_length_c   7.364
_cell_angle_alpha   121.228
_cell_angle_beta   117.886
_cell_angle_gamma   90.793
_symmetry_Int_Tables_number   1
_cell_volume   283.976
_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
  Na  Na0  1  0.500  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Nd  Nd2  1  0.500  0.000  0.500  1.0
  Nd  Nd3  1  0.000  0.000  0.000  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  Nb  Nb6  1  0.000  0.500  0.500  1.0
  Nb  Nb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.921  0.171  0.750  1.0
  O  O9  1  0.317  0.567  0.750  1.0
  O  O10  1  0.937  0.583  0.765  1.0
  O  O11  1  0.317  0.171  0.735  1.0
  O  O12  1  0.937  0.171  0.354  1.0
  O  O13  1  0.317  0.583  0.146  1.0
  O  O14  1  0.079  0.829  0.250  1.0
  O  O15  1  0.683  0.433  0.250  1.0
  O  O16  1  0.063  0.417  0.235  1.0
  O  O17  1  0.683  0.829  0.265  1.0
  O  O18  1  0.063  0.829  0.646  1.0
  O  O19  1  0.683  0.417  0.854  1.0
  F  F20  1  0.623  0.873  0.750  1.0
  F  F21  1  0.377  0.127  0.250  1.0
[/CIF]
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