The material structure described by Na3SO4F is Ilmenite-derived structured and crystallizes in the cubic P-43m space group. Na(1) is bonded in a 6-coordinate geometry to four equivalent O(1) and two equivalent F(1) atoms. S(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na(1) and one S(1) atom. F(1) is bonded to six equivalent Na(1) atoms to form corner-sharing FNa6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3SO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.941
_cell_length_b   4.941
_cell_length_c   4.941
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.611
_cell_formula_units_Z   1
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  0.000  0.500  0.000  1.0
  Na  Na1  1  0.500  0.000  0.000  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.325  0.325  0.325  1.0
  O  O5  1  0.675  0.675  0.325  1.0
  O  O6  1  0.325  0.675  0.675  1.0
  O  O7  1  0.675  0.325  0.675  1.0
  F  F8  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material structure described by Na3SO4F is Ilmenite-derived structured and crystallizes in the cubic P-43m space group. Na(1) is bonded in a 6-coordinate geometry to four equivalent O(1) and two equivalent F(1) atoms. S(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na(1) and one S(1) atom. F(1) is bonded to six equivalent Na(1) atoms to form corner-sharing FNa6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3SO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.941
_cell_length_b   4.941
_cell_length_c   4.941
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   120.611
_cell_formula_units_Z   1
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  0.000  0.500  0.000  1.0
  Na  Na1  1  0.500  0.000  0.000  1.0
  Na  Na2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.325  0.325  0.325  1.0
  O  O5  1  0.675  0.675  0.325  1.0
  O  O6  1  0.325  0.675  0.675  1.0
  O  O7  1  0.675  0.325  0.675  1.0
  F  F8  1  0.000  0.000  0.000  1.0
[/CIF]
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