The structure described by NaNbO2F is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 6-coordinate geometry to four equivalent O(1) and two equivalent F(1) atoms. Nb(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. F(1) is bonded to two equivalent Na(1) and two equivalent Nb(1) atoms to form distorted corner-sharing FNa2Nb2 tetrahedra. is represented by the CIF file [CIF]
data_NaNbO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.548
_cell_length_b   5.654
_cell_length_c   8.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.682
_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
  Na  Na0  1  0.968  0.025  0.250  1.0
  Na  Na1  1  0.532  0.525  0.250  1.0
  Na  Na2  1  0.468  0.475  0.750  1.0
  Na  Na3  1  0.032  0.975  0.750  1.0
  Nb  Nb4  1  0.500  0.000  0.500  1.0
  Nb  Nb5  1  0.500  0.000  0.000  1.0
  Nb  Nb6  1  0.000  0.500  0.500  1.0
  Nb  Nb7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.725  0.273  0.041  1.0
  O  O9  1  0.225  0.227  0.541  1.0
  O  O10  1  0.275  0.727  0.541  1.0
  O  O11  1  0.225  0.227  0.959  1.0
  O  O12  1  0.725  0.273  0.459  1.0
  O  O13  1  0.275  0.727  0.959  1.0
  O  O14  1  0.775  0.773  0.459  1.0
  O  O15  1  0.775  0.773  0.041  1.0
  F  F16  1  0.390  0.977  0.250  1.0
  F  F17  1  0.610  0.023  0.750  1.0
  F  F18  1  0.890  0.523  0.750  1.0
  F  F19  1  0.110  0.477  0.250  1.0
[/CIF]
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The structure described by NaNbO2F is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 6-coordinate geometry to four equivalent O(1) and two equivalent F(1) atoms. Nb(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. F(1) is bonded to two equivalent Na(1) and two equivalent Nb(1) atoms to form distorted corner-sharing FNa2Nb2 tetrahedra. is represented by the CIF file [CIF]
data_NaNbO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.548
_cell_length_b   5.654
_cell_length_c   8.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.682
_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
  Na  Na0  1  0.968  0.025  0.250  1.0
  Na  Na1  1  0.532  0.525  0.250  1.0
  Na  Na2  1  0.468  0.475  0.750  1.0
  Na  Na3  1  0.032  0.975  0.750  1.0
  Nb  Nb4  1  0.500  0.000  0.500  1.0
  Nb  Nb5  1  0.500  0.000  0.000  1.0
  Nb  Nb6  1  0.000  0.500  0.500  1.0
  Nb  Nb7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.725  0.273  0.041  1.0
  O  O9  1  0.225  0.227  0.541  1.0
  O  O10  1  0.275  0.727  0.541  1.0
  O  O11  1  0.225  0.227  0.959  1.0
  O  O12  1  0.725  0.273  0.459  1.0
  O  O13  1  0.275  0.727  0.959  1.0
  O  O14  1  0.775  0.773  0.459  1.0
  O  O15  1  0.775  0.773  0.041  1.0
  F  F16  1  0.390  0.977  0.250  1.0
  F  F17  1  0.610  0.023  0.750  1.0
  F  F18  1  0.890  0.523  0.750  1.0
  F  F19  1  0.110  0.477  0.250  1.0
[/CIF]
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