The material structure described by SnS2 crystallizes in the tetragonal I-42d space group. Sn(1) is bonded to four equivalent S(1) atoms to form corner-sharing SnS4 tetrahedra. S(1) is bonded in a water-like geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.926
_cell_length_b   5.926
_cell_length_c   6.456
_cell_angle_alpha   117.322
_cell_angle_beta   117.322
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.495
_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  0.250  0.750  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.880  0.875  0.250  1.0
  S  S3  1  0.625  0.120  0.750  1.0
  S  S4  1  0.370  0.375  0.250  1.0
  S  S5  1  0.125  0.630  0.750  1.0
[/CIF]
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The material structure described by SnS2 crystallizes in the tetragonal I-42d space group. Sn(1) is bonded to four equivalent S(1) atoms to form corner-sharing SnS4 tetrahedra. S(1) is bonded in a water-like geometry to two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.926
_cell_length_b   5.926
_cell_length_c   6.456
_cell_angle_alpha   117.322
_cell_angle_beta   117.322
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.495
_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  0.250  0.750  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.880  0.875  0.250  1.0
  S  S3  1  0.625  0.120  0.750  1.0
  S  S4  1  0.370  0.375  0.250  1.0
  S  S5  1  0.125  0.630  0.750  1.0
[/CIF]
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