The structure described by Ba2SnS3F2 crystallizes in the orthorhombic Pnma space group. Ba(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 Ba(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 Ba(1) and two equivalent Sn(1) atoms. F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. is represented by the CIF file [CIF]
data_Ba2SnS3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.267
_cell_length_b   6.372
_cell_length_c   19.421
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   775.500
_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
  Ba  Ba0  1  0.247  0.497  0.423  1.0
  Ba  Ba1  1  0.747  0.003  0.077  1.0
  Ba  Ba2  1  0.253  0.997  0.577  1.0
  Ba  Ba3  1  0.753  0.503  0.923  1.0
  Ba  Ba4  1  0.753  0.503  0.577  1.0
  Ba  Ba5  1  0.253  0.997  0.923  1.0
  Ba  Ba6  1  0.747  0.003  0.423  1.0
  Ba  Ba7  1  0.247  0.497  0.077  1.0
  Sn  Sn8  1  0.156  0.584  0.750  1.0
  Sn  Sn9  1  0.656  0.916  0.750  1.0
  Sn  Sn10  1  0.344  0.084  0.250  1.0
  Sn  Sn11  1  0.844  0.416  0.250  1.0
  S  S12  1  0.744  0.515  0.138  1.0
  S  S13  1  0.763  0.542  0.750  1.0
  S  S14  1  0.737  0.042  0.250  1.0
  S  S15  1  0.237  0.458  0.250  1.0
  S  S16  1  0.244  0.985  0.362  1.0
  S  S17  1  0.756  0.015  0.862  1.0
  S  S18  1  0.256  0.485  0.638  1.0
  S  S19  1  0.256  0.485  0.862  1.0
  S  S20  1  0.744  0.515  0.362  1.0
  S  S21  1  0.244  0.985  0.138  1.0
  S  S22  1  0.263  0.958  0.750  1.0
  S  S23  1  0.756  0.015  0.638  1.0
  F  F24  1  0.499  0.253  0.999  1.0
  F  F25  1  0.999  0.247  0.501  1.0
  F  F26  1  0.501  0.747  0.499  1.0
  F  F27  1  0.499  0.253  0.501  1.0
  F  F28  1  0.999  0.247  0.999  1.0
  F  F29  1  0.001  0.753  0.499  1.0
  F  F30  1  0.501  0.747  0.001  1.0
  F  F31  1  0.001  0.753  0.001  1.0
[/CIF]
.
The structure described by Ba2SnS3F2 crystallizes in the orthorhombic Pnma space group. Ba(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 Ba(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 Ba(1) and two equivalent Sn(1) atoms. F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. is represented by the CIF file [CIF]
data_Ba2SnS3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.267
_cell_length_b   6.372
_cell_length_c   19.421
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   775.500
_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
  Ba  Ba0  1  0.247  0.497  0.423  1.0
  Ba  Ba1  1  0.747  0.003  0.077  1.0
  Ba  Ba2  1  0.253  0.997  0.577  1.0
  Ba  Ba3  1  0.753  0.503  0.923  1.0
  Ba  Ba4  1  0.753  0.503  0.577  1.0
  Ba  Ba5  1  0.253  0.997  0.923  1.0
  Ba  Ba6  1  0.747  0.003  0.423  1.0
  Ba  Ba7  1  0.247  0.497  0.077  1.0
  Sn  Sn8  1  0.156  0.584  0.750  1.0
  Sn  Sn9  1  0.656  0.916  0.750  1.0
  Sn  Sn10  1  0.344  0.084  0.250  1.0
  Sn  Sn11  1  0.844  0.416  0.250  1.0
  S  S12  1  0.744  0.515  0.138  1.0
  S  S13  1  0.763  0.542  0.750  1.0
  S  S14  1  0.737  0.042  0.250  1.0
  S  S15  1  0.237  0.458  0.250  1.0
  S  S16  1  0.244  0.985  0.362  1.0
  S  S17  1  0.756  0.015  0.862  1.0
  S  S18  1  0.256  0.485  0.638  1.0
  S  S19  1  0.256  0.485  0.862  1.0
  S  S20  1  0.744  0.515  0.362  1.0
  S  S21  1  0.244  0.985  0.138  1.0
  S  S22  1  0.263  0.958  0.750  1.0
  S  S23  1  0.756  0.015  0.638  1.0
  F  F24  1  0.499  0.253  0.999  1.0
  F  F25  1  0.999  0.247  0.501  1.0
  F  F26  1  0.501  0.747  0.499  1.0
  F  F27  1  0.499  0.253  0.501  1.0
  F  F28  1  0.999  0.247  0.999  1.0
  F  F29  1  0.001  0.753  0.499  1.0
  F  F30  1  0.501  0.747  0.001  1.0
  F  F31  1  0.001  0.753  0.001  1.0
[/CIF]
.