The compound described by Na2SbSO4F3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form NaO4F2 octahedra that share corners with four equivalent S(1)O4 tetrahedra and edges with two equivalent Na(1)O4F2 octahedra. In the second Na site, Na(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. Sb(1) is bonded in a 5-coordinate geometry to two equivalent O(2), one F(2), and two equivalent F(1) atoms. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Na(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-64°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Sb(1), and one S(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2SbSO4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.257
_cell_length_b   8.257
_cell_length_c   11.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   129.243
_symmetry_Int_Tables_number   1
_cell_volume   582.364
_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  0.969  0.469  0.250  1.0
  Na  Na1  1  0.617  0.383  0.000  1.0
  Na  Na2  1  0.031  0.531  0.750  1.0
  Na  Na3  1  0.383  0.617  0.000  1.0
  Na  Na4  1  0.117  0.883  0.500  1.0
  Na  Na5  1  0.531  0.031  0.750  1.0
  Na  Na6  1  0.469  0.969  0.250  1.0
  Na  Na7  1  0.883  0.117  0.500  1.0
  Sb  Sb8  1  0.108  0.108  0.165  1.0
  Sb  Sb9  1  0.392  0.392  0.665  1.0
  Sb  Sb10  1  0.892  0.892  0.835  1.0
  Sb  Sb11  1  0.608  0.608  0.335  1.0
  S  S12  1  0.317  0.683  0.500  1.0
  S  S13  1  0.817  0.183  0.000  1.0
  S  S14  1  0.683  0.317  0.500  1.0
  S  S15  1  0.183  0.817  0.000  1.0
  O  O16  1  0.796  0.275  0.893  1.0
  O  O17  1  0.275  0.796  0.893  1.0
  O  O18  1  0.711  0.959  0.976  1.0
  O  O19  1  0.789  0.541  0.476  1.0
  O  O20  1  0.225  0.704  0.393  1.0
  O  O21  1  0.725  0.204  0.107  1.0
  O  O22  1  0.704  0.225  0.393  1.0
  O  O23  1  0.296  0.775  0.607  1.0
  O  O24  1  0.541  0.789  0.476  1.0
  O  O25  1  0.289  0.041  0.024  1.0
  O  O26  1  0.959  0.711  0.976  1.0
  O  O27  1  0.775  0.296  0.607  1.0
  O  O28  1  0.211  0.459  0.524  1.0
  O  O29  1  0.459  0.211  0.524  1.0
  O  O30  1  0.204  0.725  0.107  1.0
  O  O31  1  0.041  0.289  0.024  1.0
  F  F32  1  0.903  0.717  0.718  1.0
  F  F33  1  0.380  0.380  0.119  1.0
  F  F34  1  0.283  0.097  0.282  1.0
  F  F35  1  0.880  0.880  0.381  1.0
  F  F36  1  0.217  0.403  0.782  1.0
  F  F37  1  0.620  0.620  0.881  1.0
  F  F38  1  0.717  0.903  0.718  1.0
  F  F39  1  0.783  0.597  0.218  1.0
  F  F40  1  0.403  0.217  0.782  1.0
  F  F41  1  0.120  0.120  0.619  1.0
  F  F42  1  0.097  0.283  0.282  1.0
  F  F43  1  0.597  0.783  0.218  1.0
[/CIF]
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The compound described by Na2SbSO4F3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form NaO4F2 octahedra that share corners with four equivalent S(1)O4 tetrahedra and edges with two equivalent Na(1)O4F2 octahedra. In the second Na site, Na(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms. Sb(1) is bonded in a 5-coordinate geometry to two equivalent O(2), one F(2), and two equivalent F(1) atoms. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Na(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-64°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Sb(1), and one S(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2SbSO4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.257
_cell_length_b   8.257
_cell_length_c   11.030
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   129.243
_symmetry_Int_Tables_number   1
_cell_volume   582.364
_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  0.969  0.469  0.250  1.0
  Na  Na1  1  0.617  0.383  0.000  1.0
  Na  Na2  1  0.031  0.531  0.750  1.0
  Na  Na3  1  0.383  0.617  0.000  1.0
  Na  Na4  1  0.117  0.883  0.500  1.0
  Na  Na5  1  0.531  0.031  0.750  1.0
  Na  Na6  1  0.469  0.969  0.250  1.0
  Na  Na7  1  0.883  0.117  0.500  1.0
  Sb  Sb8  1  0.108  0.108  0.165  1.0
  Sb  Sb9  1  0.392  0.392  0.665  1.0
  Sb  Sb10  1  0.892  0.892  0.835  1.0
  Sb  Sb11  1  0.608  0.608  0.335  1.0
  S  S12  1  0.317  0.683  0.500  1.0
  S  S13  1  0.817  0.183  0.000  1.0
  S  S14  1  0.683  0.317  0.500  1.0
  S  S15  1  0.183  0.817  0.000  1.0
  O  O16  1  0.796  0.275  0.893  1.0
  O  O17  1  0.275  0.796  0.893  1.0
  O  O18  1  0.711  0.959  0.976  1.0
  O  O19  1  0.789  0.541  0.476  1.0
  O  O20  1  0.225  0.704  0.393  1.0
  O  O21  1  0.725  0.204  0.107  1.0
  O  O22  1  0.704  0.225  0.393  1.0
  O  O23  1  0.296  0.775  0.607  1.0
  O  O24  1  0.541  0.789  0.476  1.0
  O  O25  1  0.289  0.041  0.024  1.0
  O  O26  1  0.959  0.711  0.976  1.0
  O  O27  1  0.775  0.296  0.607  1.0
  O  O28  1  0.211  0.459  0.524  1.0
  O  O29  1  0.459  0.211  0.524  1.0
  O  O30  1  0.204  0.725  0.107  1.0
  O  O31  1  0.041  0.289  0.024  1.0
  F  F32  1  0.903  0.717  0.718  1.0
  F  F33  1  0.380  0.380  0.119  1.0
  F  F34  1  0.283  0.097  0.282  1.0
  F  F35  1  0.880  0.880  0.381  1.0
  F  F36  1  0.217  0.403  0.782  1.0
  F  F37  1  0.620  0.620  0.881  1.0
  F  F38  1  0.717  0.903  0.718  1.0
  F  F39  1  0.783  0.597  0.218  1.0
  F  F40  1  0.403  0.217  0.782  1.0
  F  F41  1  0.120  0.120  0.619  1.0
  F  F42  1  0.097  0.283  0.282  1.0
  F  F43  1  0.597  0.783  0.218  1.0
[/CIF]
.