The material structure described by ThSO6 crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent O(4) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Th(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Th(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Th(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one O(4) atom. is represented by the CIF card [CIF]
data_ThSO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.326
_cell_length_b   7.364
_cell_length_c   11.947
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   556.562
_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  0.250  0.327  0.577  1.0
  Th  Th1  1  0.250  0.173  0.077  1.0
  Th  Th2  1  0.750  0.673  0.423  1.0
  Th  Th3  1  0.750  0.827  0.923  1.0
  S  S4  1  0.250  0.555  0.862  1.0
  S  S5  1  0.250  0.945  0.362  1.0
  S  S6  1  0.750  0.445  0.138  1.0
  S  S7  1  0.750  0.055  0.638  1.0
  O  O8  1  0.250  0.456  0.971  1.0
  O  O9  1  0.250  0.044  0.471  1.0
  O  O10  1  0.750  0.544  0.029  1.0
  O  O11  1  0.750  0.956  0.529  1.0
  O  O12  1  0.250  0.420  0.769  1.0
  O  O13  1  0.250  0.080  0.269  1.0
  O  O14  1  0.750  0.580  0.231  1.0
  O  O15  1  0.750  0.920  0.731  1.0
  O  O16  1  0.059  0.670  0.852  1.0
  O  O17  1  0.441  0.830  0.352  1.0
  O  O18  1  0.559  0.330  0.148  1.0
  O  O19  1  0.941  0.170  0.648  1.0
  O  O20  1  0.941  0.330  0.148  1.0
  O  O21  1  0.559  0.170  0.648  1.0
  O  O22  1  0.441  0.670  0.852  1.0
  O  O23  1  0.059  0.830  0.352  1.0
  O  O24  1  0.001  0.059  0.948  1.0
  O  O25  1  0.499  0.441  0.448  1.0
  O  O26  1  0.501  0.941  0.052  1.0
  O  O27  1  0.999  0.559  0.552  1.0
  O  O28  1  0.999  0.941  0.052  1.0
  O  O29  1  0.501  0.559  0.552  1.0
  O  O30  1  0.499  0.059  0.948  1.0
  O  O31  1  0.001  0.441  0.448  1.0
[/CIF]
.
The material structure described by ThSO6 crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent O(4) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Th(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Th(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Th(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one O(4) atom. is represented by the CIF card [CIF]
data_ThSO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.326
_cell_length_b   7.364
_cell_length_c   11.947
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   556.562
_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  0.250  0.327  0.577  1.0
  Th  Th1  1  0.250  0.173  0.077  1.0
  Th  Th2  1  0.750  0.673  0.423  1.0
  Th  Th3  1  0.750  0.827  0.923  1.0
  S  S4  1  0.250  0.555  0.862  1.0
  S  S5  1  0.250  0.945  0.362  1.0
  S  S6  1  0.750  0.445  0.138  1.0
  S  S7  1  0.750  0.055  0.638  1.0
  O  O8  1  0.250  0.456  0.971  1.0
  O  O9  1  0.250  0.044  0.471  1.0
  O  O10  1  0.750  0.544  0.029  1.0
  O  O11  1  0.750  0.956  0.529  1.0
  O  O12  1  0.250  0.420  0.769  1.0
  O  O13  1  0.250  0.080  0.269  1.0
  O  O14  1  0.750  0.580  0.231  1.0
  O  O15  1  0.750  0.920  0.731  1.0
  O  O16  1  0.059  0.670  0.852  1.0
  O  O17  1  0.441  0.830  0.352  1.0
  O  O18  1  0.559  0.330  0.148  1.0
  O  O19  1  0.941  0.170  0.648  1.0
  O  O20  1  0.941  0.330  0.148  1.0
  O  O21  1  0.559  0.170  0.648  1.0
  O  O22  1  0.441  0.670  0.852  1.0
  O  O23  1  0.059  0.830  0.352  1.0
  O  O24  1  0.001  0.059  0.948  1.0
  O  O25  1  0.499  0.441  0.448  1.0
  O  O26  1  0.501  0.941  0.052  1.0
  O  O27  1  0.999  0.559  0.552  1.0
  O  O28  1  0.999  0.941  0.052  1.0
  O  O29  1  0.501  0.559  0.552  1.0
  O  O30  1  0.499  0.059  0.948  1.0
  O  O31  1  0.001  0.441  0.448  1.0
[/CIF]
.