The crystal structure described by Sr2SnS3F2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 4-coordinate geometry to one S(2), four equivalent S(1), and four equivalent F(1) atoms. Sn(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form corner-sharing SnS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Sn(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Sr(1) and two equivalent Sn(1) atoms. F(1) is bonded to four equivalent Sr(1) atoms to form a mixture of corner and edge-sharing FSr4 tetrahedra. is represented by the CIF file [CIF]
data_Sr2SnS3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.014
_cell_length_b   6.035
_cell_length_c   19.095
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   693.016
_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
  Sr  Sr0  1  0.247  0.498  0.074  1.0
  Sr  Sr1  1  0.747  0.002  0.426  1.0
  Sr  Sr2  1  0.253  0.998  0.926  1.0
  Sr  Sr3  1  0.753  0.502  0.574  1.0
  Sr  Sr4  1  0.247  0.498  0.426  1.0
  Sr  Sr5  1  0.747  0.002  0.074  1.0
  Sr  Sr6  1  0.253  0.998  0.574  1.0
  Sr  Sr7  1  0.753  0.502  0.926  1.0
  Sn  Sn8  1  0.843  0.426  0.250  1.0
  Sn  Sn9  1  0.343  0.074  0.250  1.0
  Sn  Sn10  1  0.657  0.926  0.750  1.0
  Sn  Sn11  1  0.157  0.574  0.750  1.0
  S  S12  1  0.743  0.514  0.367  1.0
  S  S13  1  0.243  0.986  0.133  1.0
  S  S14  1  0.757  0.014  0.633  1.0
  S  S15  1  0.257  0.486  0.867  1.0
  S  S16  1  0.251  0.476  0.250  1.0
  S  S17  1  0.751  0.024  0.250  1.0
  S  S18  1  0.249  0.976  0.750  1.0
  S  S19  1  0.749  0.524  0.750  1.0
  S  S20  1  0.743  0.514  0.133  1.0
  S  S21  1  0.243  0.986  0.367  1.0
  S  S22  1  0.757  0.014  0.867  1.0
  S  S23  1  0.257  0.486  0.633  1.0
  F  F24  1  0.501  0.748  0.500  1.0
  F  F25  1  0.001  0.752  0.000  1.0
  F  F26  1  0.999  0.248  0.500  1.0
  F  F27  1  0.499  0.252  1.000  1.0
  F  F28  1  0.499  0.252  0.500  1.0
  F  F29  1  0.999  0.248  1.000  1.0
  F  F30  1  0.001  0.752  0.500  1.0
  F  F31  1  0.501  0.748  0.000  1.0
[/CIF]
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The crystal structure described by Sr2SnS3F2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 4-coordinate geometry to one S(2), four equivalent S(1), and four equivalent F(1) atoms. Sn(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form corner-sharing SnS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Sn(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Sr(1) and two equivalent Sn(1) atoms. F(1) is bonded to four equivalent Sr(1) atoms to form a mixture of corner and edge-sharing FSr4 tetrahedra. is represented by the CIF file [CIF]
data_Sr2SnS3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.014
_cell_length_b   6.035
_cell_length_c   19.095
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   693.016
_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
  Sr  Sr0  1  0.247  0.498  0.074  1.0
  Sr  Sr1  1  0.747  0.002  0.426  1.0
  Sr  Sr2  1  0.253  0.998  0.926  1.0
  Sr  Sr3  1  0.753  0.502  0.574  1.0
  Sr  Sr4  1  0.247  0.498  0.426  1.0
  Sr  Sr5  1  0.747  0.002  0.074  1.0
  Sr  Sr6  1  0.253  0.998  0.574  1.0
  Sr  Sr7  1  0.753  0.502  0.926  1.0
  Sn  Sn8  1  0.843  0.426  0.250  1.0
  Sn  Sn9  1  0.343  0.074  0.250  1.0
  Sn  Sn10  1  0.657  0.926  0.750  1.0
  Sn  Sn11  1  0.157  0.574  0.750  1.0
  S  S12  1  0.743  0.514  0.367  1.0
  S  S13  1  0.243  0.986  0.133  1.0
  S  S14  1  0.757  0.014  0.633  1.0
  S  S15  1  0.257  0.486  0.867  1.0
  S  S16  1  0.251  0.476  0.250  1.0
  S  S17  1  0.751  0.024  0.250  1.0
  S  S18  1  0.249  0.976  0.750  1.0
  S  S19  1  0.749  0.524  0.750  1.0
  S  S20  1  0.743  0.514  0.133  1.0
  S  S21  1  0.243  0.986  0.367  1.0
  S  S22  1  0.757  0.014  0.867  1.0
  S  S23  1  0.257  0.486  0.633  1.0
  F  F24  1  0.501  0.748  0.500  1.0
  F  F25  1  0.001  0.752  0.000  1.0
  F  F26  1  0.999  0.248  0.500  1.0
  F  F27  1  0.499  0.252  1.000  1.0
  F  F28  1  0.499  0.252  0.500  1.0
  F  F29  1  0.999  0.248  1.000  1.0
  F  F30  1  0.001  0.752  0.500  1.0
  F  F31  1  0.501  0.748  0.000  1.0
[/CIF]
.