The material described by Na3SO4F crystallizes in the cubic P-43m space group. The structure consists of one hydrofluoric acid atom inside a Na3SO4 framework. In the Na3SO4 framework, Na(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. S(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded to three equivalent Na(1) and one S(1) atom to form a mixture of corner and edge-sharing ONa3S trigonal pyramids. is represented by the CIF card [CIF]
data_Na3SO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.760
_cell_length_b   5.760
_cell_length_c   5.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.136
_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  0.000  0.000  0.500  1.0
  Na  Na2  1  0.500  0.000  0.000  1.0
  S  S3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.149  0.851  0.149  1.0
  O  O5  1  0.851  0.149  0.149  1.0
  O  O6  1  0.149  0.149  0.851  1.0
  O  O7  1  0.851  0.851  0.851  1.0
  F  F8  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by Na3SO4F crystallizes in the cubic P-43m space group. The structure consists of one hydrofluoric acid atom inside a Na3SO4 framework. In the Na3SO4 framework, Na(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. S(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded to three equivalent Na(1) and one S(1) atom to form a mixture of corner and edge-sharing ONa3S trigonal pyramids. is represented by the CIF card [CIF]
data_Na3SO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.760
_cell_length_b   5.760
_cell_length_c   5.760
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.136
_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  0.000  0.000  0.500  1.0
  Na  Na2  1  0.500  0.000  0.000  1.0
  S  S3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.149  0.851  0.149  1.0
  O  O5  1  0.851  0.149  0.149  1.0
  O  O6  1  0.149  0.149  0.851  1.0
  O  O7  1  0.851  0.851  0.851  1.0
  F  F8  1  0.500  0.500  0.500  1.0
[/CIF]
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