The compound described by Na2HF4 crystallizes in the monoclinic P2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form distorted edge-sharing NaF6 octahedra. In the second Na site, Na(2) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form edge-sharing NaF6 octahedra. H(1) is bonded in a linear geometry to two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Na(2) atoms. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one H(1) atom to form a mixture of distorted corner and edge-sharing FNa3H tetrahedra. is represented by the CIF card [CIF]
data_Na2HF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.661
_cell_length_b   9.363
_cell_length_c   8.686
_cell_angle_alpha   21.924
_cell_angle_beta   39.137
_cell_angle_gamma   43.983
_symmetry_Int_Tables_number   1
_cell_volume   89.332
_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  0.000  1.000  1.0
  Na  Na1  1  1.000  0.500  1.000  1.0
  H  H2  1  0.500  0.500  0.500  1.0
  F  F3  1  0.419  0.000  0.425  1.0
  F  F4  1  0.421  0.500  0.406  1.0
  F  F5  1  0.579  0.500  0.594  1.0
  F  F6  1  0.581  0.000  0.575  1.0
[/CIF]
.
The compound described by Na2HF4 crystallizes in the monoclinic P2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form distorted edge-sharing NaF6 octahedra. In the second Na site, Na(2) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form edge-sharing NaF6 octahedra. H(1) is bonded in a linear geometry to two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Na(2) atoms. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one H(1) atom to form a mixture of distorted corner and edge-sharing FNa3H tetrahedra. is represented by the CIF card [CIF]
data_Na2HF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.661
_cell_length_b   9.363
_cell_length_c   8.686
_cell_angle_alpha   21.924
_cell_angle_beta   39.137
_cell_angle_gamma   43.983
_symmetry_Int_Tables_number   1
_cell_volume   89.332
_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  0.000  1.000  1.0
  Na  Na1  1  1.000  0.500  1.000  1.0
  H  H2  1  0.500  0.500  0.500  1.0
  F  F3  1  0.419  0.000  0.425  1.0
  F  F4  1  0.421  0.500  0.406  1.0
  F  F5  1  0.579  0.500  0.594  1.0
  F  F6  1  0.581  0.000  0.575  1.0
[/CIF]
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