The structure described by ThCe4O9 crystallizes in the tetragonal I-4 space group. Th(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Ce(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ce(1) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the second O site, O(2) is bonded to one Th(1) and three equivalent Ce(1) atoms to form OCe3Th tetrahedra that share  a cornercorner with one O(1)Ce4 tetrahedra, corners with three equivalent O(3)Ce3Th tetrahedra, corners with nine equivalent O(2)Ce3Th tetrahedra,  an edgeedge with one O(1)Ce4 tetrahedra, and edges with five equivalent O(3)Ce3Th tetrahedra. In the third O site, O(3) is bonded to one Th(1) and three equivalent Ce(1) atoms to form OCe3Th tetrahedra that share corners with three equivalent O(2)Ce3Th tetrahedra, corners with three equivalent O(1)Ce4 tetrahedra, corners with nine equivalent O(3)Ce3Th tetrahedra, and edges with five equivalent O(2)Ce3Th tetrahedra. is represented by the CIF file [CIF]
data_Ce4ThO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.793
_cell_length_b   6.793
_cell_length_c   6.793
_cell_angle_alpha   99.807
_cell_angle_beta   99.807
_cell_angle_gamma   131.250
_symmetry_Int_Tables_number   1
_cell_volume   214.705
_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
  Ce  Ce0  1  0.615  0.936  0.101  1.0
  Ce  Ce1  1  0.064  0.165  0.679  1.0
  Ce  Ce2  1  0.835  0.515  0.899  1.0
  Ce  Ce3  1  0.485  0.385  0.321  1.0
  Th  Th4  1  0.250  0.750  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.185  0.585  0.782  1.0
  O  O7  1  0.597  0.815  0.399  1.0
  O  O8  1  0.910  0.731  0.631  1.0
  O  O9  1  0.099  0.279  0.369  1.0
  O  O10  1  0.415  0.198  0.601  1.0
  O  O11  1  0.721  0.090  0.821  1.0
  O  O12  1  0.269  0.901  0.179  1.0
  O  O13  1  0.802  0.403  0.218  1.0
[/CIF]
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The structure described by ThCe4O9 crystallizes in the tetragonal I-4 space group. Th(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Ce(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ce(1) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the second O site, O(2) is bonded to one Th(1) and three equivalent Ce(1) atoms to form OCe3Th tetrahedra that share  a cornercorner with one O(1)Ce4 tetrahedra, corners with three equivalent O(3)Ce3Th tetrahedra, corners with nine equivalent O(2)Ce3Th tetrahedra,  an edgeedge with one O(1)Ce4 tetrahedra, and edges with five equivalent O(3)Ce3Th tetrahedra. In the third O site, O(3) is bonded to one Th(1) and three equivalent Ce(1) atoms to form OCe3Th tetrahedra that share corners with three equivalent O(2)Ce3Th tetrahedra, corners with three equivalent O(1)Ce4 tetrahedra, corners with nine equivalent O(3)Ce3Th tetrahedra, and edges with five equivalent O(2)Ce3Th tetrahedra. is represented by the CIF file [CIF]
data_Ce4ThO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.793
_cell_length_b   6.793
_cell_length_c   6.793
_cell_angle_alpha   99.807
_cell_angle_beta   99.807
_cell_angle_gamma   131.250
_symmetry_Int_Tables_number   1
_cell_volume   214.705
_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
  Ce  Ce0  1  0.615  0.936  0.101  1.0
  Ce  Ce1  1  0.064  0.165  0.679  1.0
  Ce  Ce2  1  0.835  0.515  0.899  1.0
  Ce  Ce3  1  0.485  0.385  0.321  1.0
  Th  Th4  1  0.250  0.750  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.185  0.585  0.782  1.0
  O  O7  1  0.597  0.815  0.399  1.0
  O  O8  1  0.910  0.731  0.631  1.0
  O  O9  1  0.099  0.279  0.369  1.0
  O  O10  1  0.415  0.198  0.601  1.0
  O  O11  1  0.721  0.090  0.821  1.0
  O  O12  1  0.269  0.901  0.179  1.0
  O  O13  1  0.802  0.403  0.218  1.0
[/CIF]
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