The material described by SnS2(O3F)2 crystallizes in the monoclinic P2_1/c space group. Sn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one F(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one F(2) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Sn(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sn(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Sn(1) and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one S(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one S(2) atom. is represented by the CIF card [CIF]
data_SnS2(O3F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.867
_cell_length_b   5.402
_cell_length_c   14.158
_cell_angle_alpha   69.726
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   707.990
_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
  Sn  Sn0  1  0.694  0.972  0.679  1.0
  Sn  Sn1  1  0.306  0.028  0.321  1.0
  Sn  Sn2  1  0.806  0.972  0.179  1.0
  Sn  Sn3  1  0.194  0.028  0.821  1.0
  S  S4  1  0.317  0.171  0.561  1.0
  S  S5  1  0.523  0.534  0.191  1.0
  S  S6  1  0.977  0.534  0.691  1.0
  S  S7  1  0.023  0.466  0.309  1.0
  S  S8  1  0.683  0.829  0.439  1.0
  S  S9  1  0.817  0.829  0.939  1.0
  S  S10  1  0.183  0.171  0.061  1.0
  S  S11  1  0.477  0.466  0.809  1.0
  O  O12  1  0.734  0.840  0.534  1.0
  O  O13  1  0.445  0.042  0.595  1.0
  O  O14  1  0.711  0.878  0.862  1.0
  O  O15  1  0.211  0.122  0.638  1.0
  O  O16  1  0.102  0.271  0.282  1.0
  O  O17  1  0.266  0.160  0.466  1.0
  O  O18  1  0.597  0.546  0.744  1.0
  O  O19  1  0.945  0.958  0.905  1.0
  O  O20  1  0.903  0.546  0.244  1.0
  O  O21  1  0.403  0.454  0.256  1.0
  O  O22  1  0.234  0.160  0.966  1.0
  O  O23  1  0.555  0.958  0.405  1.0
  O  O24  1  0.602  0.729  0.218  1.0
  O  O25  1  0.403  0.677  0.826  1.0
  O  O26  1  0.289  0.122  0.138  1.0
  O  O27  1  0.597  0.323  0.174  1.0
  O  O28  1  0.097  0.677  0.326  1.0
  O  O29  1  0.766  0.840  0.034  1.0
  O  O30  1  0.097  0.454  0.756  1.0
  O  O31  1  0.903  0.323  0.674  1.0
  O  O32  1  0.398  0.271  0.782  1.0
  O  O33  1  0.898  0.729  0.718  1.0
  O  O34  1  0.789  0.878  0.362  1.0
  O  O35  1  0.055  0.042  0.095  1.0
  F  F36  1  0.849  0.519  0.966  1.0
  F  F37  1  0.960  0.300  0.416  1.0
  F  F38  1  0.349  0.481  0.534  1.0
  F  F39  1  0.540  0.300  0.916  1.0
  F  F40  1  0.151  0.481  0.034  1.0
  F  F41  1  0.651  0.519  0.466  1.0
  F  F42  1  0.460  0.700  0.084  1.0
  F  F43  1  0.040  0.700  0.584  1.0
[/CIF]
.
The material described by SnS2(O3F)2 crystallizes in the monoclinic P2_1/c space group. Sn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one F(1) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one F(2) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Sn(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sn(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Sn(1) and one S(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one S(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one S(2) atom. is represented by the CIF card [CIF]
data_SnS2(O3F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.867
_cell_length_b   5.402
_cell_length_c   14.158
_cell_angle_alpha   69.726
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   707.990
_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
  Sn  Sn0  1  0.694  0.972  0.679  1.0
  Sn  Sn1  1  0.306  0.028  0.321  1.0
  Sn  Sn2  1  0.806  0.972  0.179  1.0
  Sn  Sn3  1  0.194  0.028  0.821  1.0
  S  S4  1  0.317  0.171  0.561  1.0
  S  S5  1  0.523  0.534  0.191  1.0
  S  S6  1  0.977  0.534  0.691  1.0
  S  S7  1  0.023  0.466  0.309  1.0
  S  S8  1  0.683  0.829  0.439  1.0
  S  S9  1  0.817  0.829  0.939  1.0
  S  S10  1  0.183  0.171  0.061  1.0
  S  S11  1  0.477  0.466  0.809  1.0
  O  O12  1  0.734  0.840  0.534  1.0
  O  O13  1  0.445  0.042  0.595  1.0
  O  O14  1  0.711  0.878  0.862  1.0
  O  O15  1  0.211  0.122  0.638  1.0
  O  O16  1  0.102  0.271  0.282  1.0
  O  O17  1  0.266  0.160  0.466  1.0
  O  O18  1  0.597  0.546  0.744  1.0
  O  O19  1  0.945  0.958  0.905  1.0
  O  O20  1  0.903  0.546  0.244  1.0
  O  O21  1  0.403  0.454  0.256  1.0
  O  O22  1  0.234  0.160  0.966  1.0
  O  O23  1  0.555  0.958  0.405  1.0
  O  O24  1  0.602  0.729  0.218  1.0
  O  O25  1  0.403  0.677  0.826  1.0
  O  O26  1  0.289  0.122  0.138  1.0
  O  O27  1  0.597  0.323  0.174  1.0
  O  O28  1  0.097  0.677  0.326  1.0
  O  O29  1  0.766  0.840  0.034  1.0
  O  O30  1  0.097  0.454  0.756  1.0
  O  O31  1  0.903  0.323  0.674  1.0
  O  O32  1  0.398  0.271  0.782  1.0
  O  O33  1  0.898  0.729  0.718  1.0
  O  O34  1  0.789  0.878  0.362  1.0
  O  O35  1  0.055  0.042  0.095  1.0
  F  F36  1  0.849  0.519  0.966  1.0
  F  F37  1  0.960  0.300  0.416  1.0
  F  F38  1  0.349  0.481  0.534  1.0
  F  F39  1  0.540  0.300  0.916  1.0
  F  F40  1  0.151  0.481  0.034  1.0
  F  F41  1  0.651  0.519  0.466  1.0
  F  F42  1  0.460  0.700  0.084  1.0
  F  F43  1  0.040  0.700  0.584  1.0
[/CIF]
.