The structure described by Th2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing ThS7 pentagonal bipyramids. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Th(2) and three equivalent Th(1) atoms to form a mixture of corner and edge-sharing STh5 square pyramids. In the second S site, S(2) is bonded to two equivalent Th(1) and three equivalent Th(2) atoms to form a mixture of distorted corner and edge-sharing STh5 trigonal bipyramids. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Th(1) and two equivalent Th(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.933
_cell_length_b   10.877
_cell_length_c   10.972
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.317
_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
  Th  Th0  1  0.750  0.018  0.684  1.0
  Th  Th1  1  0.750  0.195  0.014  1.0
  Th  Th2  1  0.250  0.305  0.515  1.0
  Th  Th3  1  0.750  0.695  0.485  1.0
  Th  Th4  1  0.250  0.482  0.184  1.0
  Th  Th5  1  0.750  0.518  0.816  1.0
  Th  Th6  1  0.250  0.805  0.986  1.0
  Th  Th7  1  0.250  0.982  0.316  1.0
  S  S8  1  0.250  0.376  0.945  1.0
  S  S9  1  0.750  0.947  0.124  1.0
  S  S10  1  0.250  0.053  0.876  1.0
  S  S11  1  0.250  0.219  0.202  1.0
  S  S12  1  0.250  0.719  0.298  1.0
  S  S13  1  0.750  0.447  0.376  1.0
  S  S14  1  0.750  0.781  0.798  1.0
  S  S15  1  0.250  0.553  0.624  1.0
  S  S16  1  0.750  0.281  0.702  1.0
  S  S17  1  0.750  0.124  0.445  1.0
  S  S18  1  0.750  0.624  0.055  1.0
  S  S19  1  0.250  0.876  0.555  1.0
[/CIF]
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The structure described by Th2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing ThS7 pentagonal bipyramids. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Th(2) and three equivalent Th(1) atoms to form a mixture of corner and edge-sharing STh5 square pyramids. In the second S site, S(2) is bonded to two equivalent Th(1) and three equivalent Th(2) atoms to form a mixture of distorted corner and edge-sharing STh5 trigonal bipyramids. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Th(1) and two equivalent Th(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Th2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.933
_cell_length_b   10.877
_cell_length_c   10.972
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.317
_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
  Th  Th0  1  0.750  0.018  0.684  1.0
  Th  Th1  1  0.750  0.195  0.014  1.0
  Th  Th2  1  0.250  0.305  0.515  1.0
  Th  Th3  1  0.750  0.695  0.485  1.0
  Th  Th4  1  0.250  0.482  0.184  1.0
  Th  Th5  1  0.750  0.518  0.816  1.0
  Th  Th6  1  0.250  0.805  0.986  1.0
  Th  Th7  1  0.250  0.982  0.316  1.0
  S  S8  1  0.250  0.376  0.945  1.0
  S  S9  1  0.750  0.947  0.124  1.0
  S  S10  1  0.250  0.053  0.876  1.0
  S  S11  1  0.250  0.219  0.202  1.0
  S  S12  1  0.250  0.719  0.298  1.0
  S  S13  1  0.750  0.447  0.376  1.0
  S  S14  1  0.750  0.781  0.798  1.0
  S  S15  1  0.250  0.553  0.624  1.0
  S  S16  1  0.750  0.281  0.702  1.0
  S  S17  1  0.750  0.124  0.445  1.0
  S  S18  1  0.750  0.624  0.055  1.0
  S  S19  1  0.250  0.876  0.555  1.0
[/CIF]
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