The crystal structure described by Th2Se3 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 Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing ThSe7 pentagonal bipyramids. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to two equivalent Se(2), two equivalent Se(3), and three equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Th(1) and three equivalent Th(2) atoms to form a mixture of distorted edge and corner-sharing SeTh5 trigonal bipyramids. In the second Se site, Se(2) is bonded to two equivalent Th(2) and three equivalent Th(1) atoms to form a mixture of edge and corner-sharing SeTh5 square pyramids. In the third Se site, Se(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_Th2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.326
_cell_length_b   4.054
_cell_length_c   11.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   529.864
_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  0.476  0.250  0.184  1.0
  Th  Th1  1  0.976  0.250  0.316  1.0
  Th  Th2  1  0.524  0.750  0.816  1.0
  Th  Th3  1  0.024  0.750  0.684  1.0
  Th  Th4  1  0.697  0.750  0.483  1.0
  Th  Th5  1  0.197  0.750  0.017  1.0
  Th  Th6  1  0.303  0.250  0.517  1.0
  Th  Th7  1  0.803  0.250  0.983  1.0
  Se  Se8  1  0.554  0.250  0.622  1.0
  Se  Se9  1  0.054  0.250  0.878  1.0
  Se  Se10  1  0.446  0.750  0.378  1.0
  Se  Se11  1  0.946  0.750  0.122  1.0
  Se  Se12  1  0.622  0.750  0.055  1.0
  Se  Se13  1  0.122  0.750  0.445  1.0
  Se  Se14  1  0.378  0.250  0.945  1.0
  Se  Se15  1  0.878  0.250  0.555  1.0
  Se  Se16  1  0.715  0.250  0.297  1.0
  Se  Se17  1  0.215  0.250  0.203  1.0
  Se  Se18  1  0.285  0.750  0.703  1.0
  Se  Se19  1  0.785  0.750  0.797  1.0
[/CIF]
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The crystal structure described by Th2Se3 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 Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing ThSe7 pentagonal bipyramids. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to two equivalent Se(2), two equivalent Se(3), and three equivalent Se(1) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Th(1) and three equivalent Th(2) atoms to form a mixture of distorted edge and corner-sharing SeTh5 trigonal bipyramids. In the second Se site, Se(2) is bonded to two equivalent Th(2) and three equivalent Th(1) atoms to form a mixture of edge and corner-sharing SeTh5 square pyramids. In the third Se site, Se(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_Th2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.326
_cell_length_b   4.054
_cell_length_c   11.540
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   529.864
_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  0.476  0.250  0.184  1.0
  Th  Th1  1  0.976  0.250  0.316  1.0
  Th  Th2  1  0.524  0.750  0.816  1.0
  Th  Th3  1  0.024  0.750  0.684  1.0
  Th  Th4  1  0.697  0.750  0.483  1.0
  Th  Th5  1  0.197  0.750  0.017  1.0
  Th  Th6  1  0.303  0.250  0.517  1.0
  Th  Th7  1  0.803  0.250  0.983  1.0
  Se  Se8  1  0.554  0.250  0.622  1.0
  Se  Se9  1  0.054  0.250  0.878  1.0
  Se  Se10  1  0.446  0.750  0.378  1.0
  Se  Se11  1  0.946  0.750  0.122  1.0
  Se  Se12  1  0.622  0.750  0.055  1.0
  Se  Se13  1  0.122  0.750  0.445  1.0
  Se  Se14  1  0.378  0.250  0.945  1.0
  Se  Se15  1  0.878  0.250  0.555  1.0
  Se  Se16  1  0.715  0.250  0.297  1.0
  Se  Se17  1  0.215  0.250  0.203  1.0
  Se  Se18  1  0.285  0.750  0.703  1.0
  Se  Se19  1  0.785  0.750  0.797  1.0
[/CIF]
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