The structure described by NaGdTiNbO6F 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 Gd(1)O6F2 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. Gd(1) is bonded to two equivalent O(1), four equivalent O(3), and two equivalent F(1) atoms to form distorted GdO6F2 hexagonal bipyramids that share edges with two equivalent Gd(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 Gd(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 46-49°. 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 Gd(1)O6F2 hexagonal bipyramids, and edges with four equivalent Na(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-46°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Ti(1) atoms to form distorted OGd2Ti2 tetrahedra that share corners with two equivalent F(1)Na2Gd2 tetrahedra, corners with four equivalent O(1)Gd2Ti2 tetrahedra, and  an edgeedge with one F(1)Na2Gd2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent Nb(1) atoms to form distorted ONa2Nb2 trigonal pyramids that share corners with two equivalent F(1)Na2Gd2 tetrahedra, corners with four equivalent O(2)Na2Nb2 trigonal pyramids, and  an edgeedge with one F(1)Na2Gd2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Gd(1), one Ti(1), and one Nb(1) atom. F(1) is bonded to two equivalent Na(1) and two equivalent Gd(1) atoms to form FNa2Gd2 tetrahedra that share corners with two equivalent O(1)Gd2Ti2 tetrahedra, corners with four equivalent F(1)Na2Gd2 tetrahedra, corners with two equivalent O(2)Na2Nb2 trigonal pyramids,  an edgeedge with one O(1)Gd2Ti2 tetrahedra, and  an edgeedge with one O(2)Na2Nb2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaGdTiNbO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   7.325
_cell_length_c   7.325
_cell_angle_alpha   121.501
_cell_angle_beta   117.890
_cell_angle_gamma   90.556
_symmetry_Int_Tables_number   1
_cell_volume   278.879
_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
  Gd  Gd2  1  0.500  0.000  0.500  1.0
  Gd  Gd3  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  0.920  0.170  0.750  1.0
  O  O9  1  0.317  0.567  0.750  1.0
  O  O10  1  0.936  0.586  0.767  1.0
  O  O11  1  0.319  0.169  0.733  1.0
  O  O12  1  0.936  0.169  0.350  1.0
  O  O13  1  0.319  0.586  0.150  1.0
  O  O14  1  0.080  0.830  0.250  1.0
  O  O15  1  0.683  0.433  0.250  1.0
  O  O16  1  0.064  0.414  0.233  1.0
  O  O17  1  0.681  0.831  0.267  1.0
  O  O18  1  0.064  0.831  0.650  1.0
  O  O19  1  0.681  0.414  0.850  1.0
  F  F20  1  0.628  0.878  0.750  1.0
  F  F21  1  0.372  0.122  0.250  1.0
[/CIF]
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The structure described by NaGdTiNbO6F 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 Gd(1)O6F2 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. Gd(1) is bonded to two equivalent O(1), four equivalent O(3), and two equivalent F(1) atoms to form distorted GdO6F2 hexagonal bipyramids that share edges with two equivalent Gd(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 Gd(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 46-49°. 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 Gd(1)O6F2 hexagonal bipyramids, and edges with four equivalent Na(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-46°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Ti(1) atoms to form distorted OGd2Ti2 tetrahedra that share corners with two equivalent F(1)Na2Gd2 tetrahedra, corners with four equivalent O(1)Gd2Ti2 tetrahedra, and  an edgeedge with one F(1)Na2Gd2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent Nb(1) atoms to form distorted ONa2Nb2 trigonal pyramids that share corners with two equivalent F(1)Na2Gd2 tetrahedra, corners with four equivalent O(2)Na2Nb2 trigonal pyramids, and  an edgeedge with one F(1)Na2Gd2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Gd(1), one Ti(1), and one Nb(1) atom. F(1) is bonded to two equivalent Na(1) and two equivalent Gd(1) atoms to form FNa2Gd2 tetrahedra that share corners with two equivalent O(1)Gd2Ti2 tetrahedra, corners with four equivalent F(1)Na2Gd2 tetrahedra, corners with two equivalent O(2)Na2Nb2 trigonal pyramids,  an edgeedge with one O(1)Gd2Ti2 tetrahedra, and  an edgeedge with one O(2)Na2Nb2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaGdTiNbO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   7.325
_cell_length_c   7.325
_cell_angle_alpha   121.501
_cell_angle_beta   117.890
_cell_angle_gamma   90.556
_symmetry_Int_Tables_number   1
_cell_volume   278.879
_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
  Gd  Gd2  1  0.500  0.000  0.500  1.0
  Gd  Gd3  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  0.920  0.170  0.750  1.0
  O  O9  1  0.317  0.567  0.750  1.0
  O  O10  1  0.936  0.586  0.767  1.0
  O  O11  1  0.319  0.169  0.733  1.0
  O  O12  1  0.936  0.169  0.350  1.0
  O  O13  1  0.319  0.586  0.150  1.0
  O  O14  1  0.080  0.830  0.250  1.0
  O  O15  1  0.683  0.433  0.250  1.0
  O  O16  1  0.064  0.414  0.233  1.0
  O  O17  1  0.681  0.831  0.267  1.0
  O  O18  1  0.064  0.831  0.650  1.0
  O  O19  1  0.681  0.414  0.850  1.0
  F  F20  1  0.628  0.878  0.750  1.0
  F  F21  1  0.372  0.122  0.250  1.0
[/CIF]
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