The crystal structure described by KSnSO4F crystallizes in the triclinic P-1 space group. K(1) is bonded to one O(2), one O(4), two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form distorted KO6F2 hexagonal bipyramids that share corners with two equivalent S(1)O4 tetrahedra, edges with three equivalent K(1)O6F2 hexagonal bipyramids, and edges with two equivalent S(1)O4 tetrahedra. Sn(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one F(1) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent K(1)O6F2 hexagonal bipyramids and edges with two equivalent K(1)O6F2 hexagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one Sn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1), one Sn(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Sn(1), and one S(1) atom. F(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_KSnSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.247
_cell_length_b   7.210
_cell_length_c   7.372
_cell_angle_alpha   106.930
_cell_angle_beta   102.578
_cell_angle_gamma   109.872
_symmetry_Int_Tables_number   1
_cell_volume   279.598
_cell_formula_units_Z   2
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
  K  K0  1  0.691  0.339  0.130  1.0
  K  K1  1  0.309  0.661  0.870  1.0
  Sn  Sn2  1  0.863  0.942  0.708  1.0
  Sn  Sn3  1  0.137  0.058  0.292  1.0
  S  S4  1  0.670  0.362  0.660  1.0
  S  S5  1  0.330  0.638  0.340  1.0
  O  O6  1  0.517  0.641  0.247  1.0
  O  O7  1  0.483  0.359  0.753  1.0
  O  O8  1  0.181  0.419  0.326  1.0
  O  O9  1  0.158  0.711  0.238  1.0
  O  O10  1  0.548  0.211  0.437  1.0
  O  O11  1  0.452  0.789  0.563  1.0
  O  O12  1  0.819  0.581  0.674  1.0
  O  O13  1  0.842  0.289  0.762  1.0
  F  F14  1  0.236  0.024  0.033  1.0
  F  F15  1  0.764  0.976  0.967  1.0
[/CIF]
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The crystal structure described by KSnSO4F crystallizes in the triclinic P-1 space group. K(1) is bonded to one O(2), one O(4), two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form distorted KO6F2 hexagonal bipyramids that share corners with two equivalent S(1)O4 tetrahedra, edges with three equivalent K(1)O6F2 hexagonal bipyramids, and edges with two equivalent S(1)O4 tetrahedra. Sn(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one F(1) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent K(1)O6F2 hexagonal bipyramids and edges with two equivalent K(1)O6F2 hexagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one Sn(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1), one Sn(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Sn(1), and one S(1) atom. F(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_KSnSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.247
_cell_length_b   7.210
_cell_length_c   7.372
_cell_angle_alpha   106.930
_cell_angle_beta   102.578
_cell_angle_gamma   109.872
_symmetry_Int_Tables_number   1
_cell_volume   279.598
_cell_formula_units_Z   2
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
  K  K0  1  0.691  0.339  0.130  1.0
  K  K1  1  0.309  0.661  0.870  1.0
  Sn  Sn2  1  0.863  0.942  0.708  1.0
  Sn  Sn3  1  0.137  0.058  0.292  1.0
  S  S4  1  0.670  0.362  0.660  1.0
  S  S5  1  0.330  0.638  0.340  1.0
  O  O6  1  0.517  0.641  0.247  1.0
  O  O7  1  0.483  0.359  0.753  1.0
  O  O8  1  0.181  0.419  0.326  1.0
  O  O9  1  0.158  0.711  0.238  1.0
  O  O10  1  0.548  0.211  0.437  1.0
  O  O11  1  0.452  0.789  0.563  1.0
  O  O12  1  0.819  0.581  0.674  1.0
  O  O13  1  0.842  0.289  0.762  1.0
  F  F14  1  0.236  0.024  0.033  1.0
  F  F15  1  0.764  0.976  0.967  1.0
[/CIF]
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