The compound described by Th(SeO3)2 crystallizes in the monoclinic P2_1/c space group. Th(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one Th(1) and one Se(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one Se(2) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Th(1) and one Se(1) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Th(1) and one Se(2) atom. In the fifth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Th(1) and one Se(2) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Th(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_Th(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.879
_cell_length_b   7.202
_cell_length_c   8.674
_cell_angle_alpha   54.705
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   554.701
_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  0.902  0.754  0.985  1.0
  Th  Th1  1  0.598  0.754  0.485  1.0
  Th  Th2  1  0.098  0.246  0.015  1.0
  Th  Th3  1  0.402  0.246  0.515  1.0
  Se  Se4  1  0.567  0.715  0.061  1.0
  Se  Se5  1  0.933  0.715  0.561  1.0
  Se  Se6  1  0.433  0.285  0.939  1.0
  Se  Se7  1  0.067  0.285  0.439  1.0
  Se  Se8  1  0.215  0.804  0.935  1.0
  Se  Se9  1  0.285  0.804  0.435  1.0
  Se  Se10  1  0.785  0.196  0.065  1.0
  Se  Se11  1  0.715  0.196  0.565  1.0
  O  O12  1  0.102  0.988  0.916  1.0
  O  O13  1  0.398  0.988  0.416  1.0
  O  O14  1  0.898  0.012  0.084  1.0
  O  O15  1  0.602  0.012  0.584  1.0
  O  O16  1  0.478  0.481  0.209  1.0
  O  O17  1  0.022  0.481  0.709  1.0
  O  O18  1  0.522  0.519  0.791  1.0
  O  O19  1  0.978  0.519  0.291  1.0
  O  O20  1  0.105  0.617  0.956  1.0
  O  O21  1  0.395  0.617  0.456  1.0
  O  O22  1  0.895  0.383  0.044  1.0
  O  O23  1  0.605  0.383  0.544  1.0
  O  O24  1  0.259  0.939  0.709  1.0
  O  O25  1  0.241  0.939  0.209  1.0
  O  O26  1  0.741  0.061  0.291  1.0
  O  O27  1  0.759  0.061  0.791  1.0
  O  O28  1  0.708  0.591  0.097  1.0
  O  O29  1  0.792  0.591  0.597  1.0
  O  O30  1  0.292  0.409  0.903  1.0
  O  O31  1  0.208  0.409  0.403  1.0
  O  O32  1  0.590  0.836  0.181  1.0
  O  O33  1  0.910  0.836  0.681  1.0
  O  O34  1  0.410  0.164  0.819  1.0
  O  O35  1  0.090  0.164  0.319  1.0
[/CIF]
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The compound described by Th(SeO3)2 crystallizes in the monoclinic P2_1/c space group. Th(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one Th(1) and one Se(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one Se(2) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Th(1) and one Se(1) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Th(1) and one Se(2) atom. In the fifth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Th(1) and one Se(2) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Th(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_Th(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.879
_cell_length_b   7.202
_cell_length_c   8.674
_cell_angle_alpha   54.705
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   554.701
_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  0.902  0.754  0.985  1.0
  Th  Th1  1  0.598  0.754  0.485  1.0
  Th  Th2  1  0.098  0.246  0.015  1.0
  Th  Th3  1  0.402  0.246  0.515  1.0
  Se  Se4  1  0.567  0.715  0.061  1.0
  Se  Se5  1  0.933  0.715  0.561  1.0
  Se  Se6  1  0.433  0.285  0.939  1.0
  Se  Se7  1  0.067  0.285  0.439  1.0
  Se  Se8  1  0.215  0.804  0.935  1.0
  Se  Se9  1  0.285  0.804  0.435  1.0
  Se  Se10  1  0.785  0.196  0.065  1.0
  Se  Se11  1  0.715  0.196  0.565  1.0
  O  O12  1  0.102  0.988  0.916  1.0
  O  O13  1  0.398  0.988  0.416  1.0
  O  O14  1  0.898  0.012  0.084  1.0
  O  O15  1  0.602  0.012  0.584  1.0
  O  O16  1  0.478  0.481  0.209  1.0
  O  O17  1  0.022  0.481  0.709  1.0
  O  O18  1  0.522  0.519  0.791  1.0
  O  O19  1  0.978  0.519  0.291  1.0
  O  O20  1  0.105  0.617  0.956  1.0
  O  O21  1  0.395  0.617  0.456  1.0
  O  O22  1  0.895  0.383  0.044  1.0
  O  O23  1  0.605  0.383  0.544  1.0
  O  O24  1  0.259  0.939  0.709  1.0
  O  O25  1  0.241  0.939  0.209  1.0
  O  O26  1  0.741  0.061  0.291  1.0
  O  O27  1  0.759  0.061  0.791  1.0
  O  O28  1  0.708  0.591  0.097  1.0
  O  O29  1  0.792  0.591  0.597  1.0
  O  O30  1  0.292  0.409  0.903  1.0
  O  O31  1  0.208  0.409  0.403  1.0
  O  O32  1  0.590  0.836  0.181  1.0
  O  O33  1  0.910  0.836  0.681  1.0
  O  O34  1  0.410  0.164  0.819  1.0
  O  O35  1  0.090  0.164  0.319  1.0
[/CIF]
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