The compound described by Th3O crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 12-coordinate geometry to four equivalent Th(1), four equivalent Th(2), and four equivalent O(1) atoms. In the second Th site, Th(2) is bonded in a square co-planar geometry to eight equivalent Th(1) and four equivalent O(1) atoms. O(1) is bonded to four equivalent Th(2) and eight equivalent Th(1) atoms to form a mixture of corner, edge, and face-sharing OTh12 cuboctahedra. is represented by the CIF file [CIF]
data_Th3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.993
_cell_length_b   5.993
_cell_length_c   5.993
_cell_angle_alpha   135.847
_cell_angle_beta   135.847
_cell_angle_gamma   64.217
_symmetry_Int_Tables_number   1
_cell_volume   103.013
_cell_formula_units_Z   1
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  0.250  0.500  1.0
  Th  Th1  1  0.250  0.750  0.500  1.0
  Th  Th2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The compound described by Th3O crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 12-coordinate geometry to four equivalent Th(1), four equivalent Th(2), and four equivalent O(1) atoms. In the second Th site, Th(2) is bonded in a square co-planar geometry to eight equivalent Th(1) and four equivalent O(1) atoms. O(1) is bonded to four equivalent Th(2) and eight equivalent Th(1) atoms to form a mixture of corner, edge, and face-sharing OTh12 cuboctahedra. is represented by the CIF file [CIF]
data_Th3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.993
_cell_length_b   5.993
_cell_length_c   5.993
_cell_angle_alpha   135.847
_cell_angle_beta   135.847
_cell_angle_gamma   64.217
_symmetry_Int_Tables_number   1
_cell_volume   103.013
_cell_formula_units_Z   1
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  0.250  0.500  1.0
  Th  Th1  1  0.250  0.750  0.500  1.0
  Th  Th2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.000  0.000  0.000  1.0
[/CIF]
.