The structure described by ThO2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 5-coordinate geometry to five equivalent Th(1) atoms. In the second O site, O(1) is bonded to four equivalent Th(1) atoms to form a mixture of corner and edge-sharing OTh4 tetrahedra. is represented by the CIF card [CIF]
data_ThO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   6.183
_cell_length_c   7.146
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.204
_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  0.252  0.599  1.0
  Th  Th1  1  0.750  0.752  0.901  1.0
  Th  Th2  1  0.250  0.748  0.401  1.0
  Th  Th3  1  0.250  0.248  0.099  1.0
  O  O4  1  0.750  0.362  0.925  1.0
  O  O5  1  0.750  0.862  0.575  1.0
  O  O6  1  0.250  0.638  0.075  1.0
  O  O7  1  0.250  0.138  0.425  1.0
  O  O8  1  0.250  0.518  0.657  1.0
  O  O9  1  0.250  0.018  0.843  1.0
  O  O10  1  0.750  0.482  0.343  1.0
  O  O11  1  0.750  0.982  0.157  1.0
[/CIF]
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The structure described by ThO2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 5-coordinate geometry to five equivalent Th(1) atoms. In the second O site, O(1) is bonded to four equivalent Th(1) atoms to form a mixture of corner and edge-sharing OTh4 tetrahedra. is represented by the CIF card [CIF]
data_ThO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   6.183
_cell_length_c   7.146
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   167.204
_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  0.252  0.599  1.0
  Th  Th1  1  0.750  0.752  0.901  1.0
  Th  Th2  1  0.250  0.748  0.401  1.0
  Th  Th3  1  0.250  0.248  0.099  1.0
  O  O4  1  0.750  0.362  0.925  1.0
  O  O5  1  0.750  0.862  0.575  1.0
  O  O6  1  0.250  0.638  0.075  1.0
  O  O7  1  0.250  0.138  0.425  1.0
  O  O8  1  0.250  0.518  0.657  1.0
  O  O9  1  0.250  0.018  0.843  1.0
  O  O10  1  0.750  0.482  0.343  1.0
  O  O11  1  0.750  0.982  0.157  1.0
[/CIF]
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