The compound described by Sn5(S2Cl)2 crystallizes in the orthorhombic Pma2 space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one S(1), three equivalent S(2), and one Cl(2) atom. In the second Sn site, Sn(2) is bonded to two equivalent S(2), three equivalent S(1), and one Cl(1) atom to form a mixture of distorted corner and edge-sharing SnS5Cl octahedra. The corner-sharing octahedral tilt angles range from 4-16°. In the third Sn site, Sn(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(2), one Cl(1), and one Cl(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Sn(1) and three equivalent Sn(2) atoms. In the second S site, S(2) is bonded to one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SSn6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Sn(3) and two equivalent Sn(2) atoms. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Sn(3) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn5(S2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.886
_cell_length_b   5.979
_cell_length_c   18.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.719
_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
  Sn  Sn0  1  0.257  0.333  0.575  1.0
  Sn  Sn1  1  0.743  0.333  0.425  1.0
  Sn  Sn2  1  0.743  0.333  0.075  1.0
  Sn  Sn3  1  0.257  0.333  0.925  1.0
  Sn  Sn4  1  0.249  0.868  0.424  1.0
  Sn  Sn5  1  0.751  0.868  0.576  1.0
  Sn  Sn6  1  0.751  0.868  0.924  1.0
  Sn  Sn7  1  0.249  0.868  0.076  1.0
  Sn  Sn8  1  0.744  0.364  0.750  1.0
  Sn  Sn9  1  0.256  0.364  0.250  1.0
  S  S10  1  0.250  0.887  0.571  1.0
  S  S11  1  0.750  0.887  0.429  1.0
  S  S12  1  0.750  0.887  0.071  1.0
  S  S13  1  0.250  0.887  0.929  1.0
  S  S14  1  0.260  0.343  0.420  1.0
  S  S15  1  0.740  0.343  0.580  1.0
  S  S16  1  0.740  0.343  0.920  1.0
  S  S17  1  0.260  0.343  0.080  1.0
  Cl  Cl18  1  0.763  0.941  0.750  1.0
  Cl  Cl19  1  0.237  0.941  0.250  1.0
  Cl  Cl20  1  0.298  0.359  0.750  1.0
  Cl  Cl21  1  0.702  0.359  0.250  1.0
[/CIF]
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The compound described by Sn5(S2Cl)2 crystallizes in the orthorhombic Pma2 space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one S(1), three equivalent S(2), and one Cl(2) atom. In the second Sn site, Sn(2) is bonded to two equivalent S(2), three equivalent S(1), and one Cl(1) atom to form a mixture of distorted corner and edge-sharing SnS5Cl octahedra. The corner-sharing octahedral tilt angles range from 4-16°. In the third Sn site, Sn(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(2), one Cl(1), and one Cl(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Sn(1) and three equivalent Sn(2) atoms. In the second S site, S(2) is bonded to one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SSn6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Sn(3) and two equivalent Sn(2) atoms. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Sn(3) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn5(S2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.886
_cell_length_b   5.979
_cell_length_c   18.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   634.719
_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
  Sn  Sn0  1  0.257  0.333  0.575  1.0
  Sn  Sn1  1  0.743  0.333  0.425  1.0
  Sn  Sn2  1  0.743  0.333  0.075  1.0
  Sn  Sn3  1  0.257  0.333  0.925  1.0
  Sn  Sn4  1  0.249  0.868  0.424  1.0
  Sn  Sn5  1  0.751  0.868  0.576  1.0
  Sn  Sn6  1  0.751  0.868  0.924  1.0
  Sn  Sn7  1  0.249  0.868  0.076  1.0
  Sn  Sn8  1  0.744  0.364  0.750  1.0
  Sn  Sn9  1  0.256  0.364  0.250  1.0
  S  S10  1  0.250  0.887  0.571  1.0
  S  S11  1  0.750  0.887  0.429  1.0
  S  S12  1  0.750  0.887  0.071  1.0
  S  S13  1  0.250  0.887  0.929  1.0
  S  S14  1  0.260  0.343  0.420  1.0
  S  S15  1  0.740  0.343  0.580  1.0
  S  S16  1  0.740  0.343  0.920  1.0
  S  S17  1  0.260  0.343  0.080  1.0
  Cl  Cl18  1  0.763  0.941  0.750  1.0
  Cl  Cl19  1  0.237  0.941  0.250  1.0
  Cl  Cl20  1  0.298  0.359  0.750  1.0
  Cl  Cl21  1  0.702  0.359  0.250  1.0
[/CIF]
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