The structure described by Th3CeO8 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to one O(1), one O(3), three equivalent O(2), and three equivalent O(4) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to two equivalent O(4) and six equivalent O(1) atoms. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Th(1) and three equivalent Th(2) atoms to form OTh4 tetrahedra that share  a cornercorner with one O(3)Ce3Th tetrahedra, corners with three equivalent O(2)CeTh3 tetrahedra, corners with three equivalent O(4)Th4 tetrahedra, corners with nine equivalent O(1)Th4 tetrahedra, edges with three equivalent O(1)Th4 tetrahedra, and edges with three equivalent O(4)Th4 tetrahedra. In the second O site, O(2) is bonded to three equivalent Th(1) and one Ce(1) atom to form OCeTh3 tetrahedra that share corners with three equivalent O(3)Ce3Th tetrahedra, corners with three equivalent O(1)Th4 tetrahedra, corners with three equivalent O(4)Th4 tetrahedra, corners with seven equivalent O(2)CeTh3 tetrahedra, edges with three equivalent O(3)Ce3Th tetrahedra, and edges with three equivalent O(4)Th4 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  a cornercorner with one O(1)Th4 tetrahedra, corners with three equivalent O(2)CeTh3 tetrahedra, corners with three equivalent O(4)Th4 tetrahedra, corners with nine equivalent O(3)Ce3Th tetrahedra, edges with three equivalent O(3)Ce3Th tetrahedra, and edges with three equivalent O(2)CeTh3 tetrahedra. In the fourth O site, O(4) is bonded to one Th(2) and three equivalent Th(1) atoms to form OTh4 tetrahedra that share corners with three equivalent O(3)Ce3Th tetrahedra, corners with three equivalent O(2)CeTh3 tetrahedra, corners with three equivalent O(1)Th4 tetrahedra, corners with seven equivalent O(4)Th4 tetrahedra, edges with three equivalent O(2)CeTh3 tetrahedra, and edges with three equivalent O(1)Th4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeTh3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.023
_cell_length_b   13.023
_cell_length_c   13.023
_cell_angle_alpha   17.385
_cell_angle_beta   17.385
_cell_angle_gamma   17.385
_symmetry_Int_Tables_number   1
_cell_volume   172.076
_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  0.000  0.000  0.000  1.0
  Th  Th1  1  0.251  0.251  0.251  1.0
  Th  Th2  1  0.500  0.500  0.500  1.0
  Th  Th3  1  0.749  0.749  0.749  1.0
  O  O4  1  0.812  0.812  0.812  1.0
  O  O5  1  0.061  0.061  0.061  1.0
  O  O6  1  0.314  0.314  0.314  1.0
  O  O7  1  0.563  0.563  0.563  1.0
  O  O8  1  0.437  0.437  0.437  1.0
  O  O9  1  0.686  0.686  0.686  1.0
  O  O10  1  0.939  0.939  0.939  1.0
  O  O11  1  0.188  0.188  0.188  1.0
[/CIF]
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The structure described by Th3CeO8 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to one O(1), one O(3), three equivalent O(2), and three equivalent O(4) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to two equivalent O(4) and six equivalent O(1) atoms. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Th(1) and three equivalent Th(2) atoms to form OTh4 tetrahedra that share  a cornercorner with one O(3)Ce3Th tetrahedra, corners with three equivalent O(2)CeTh3 tetrahedra, corners with three equivalent O(4)Th4 tetrahedra, corners with nine equivalent O(1)Th4 tetrahedra, edges with three equivalent O(1)Th4 tetrahedra, and edges with three equivalent O(4)Th4 tetrahedra. In the second O site, O(2) is bonded to three equivalent Th(1) and one Ce(1) atom to form OCeTh3 tetrahedra that share corners with three equivalent O(3)Ce3Th tetrahedra, corners with three equivalent O(1)Th4 tetrahedra, corners with three equivalent O(4)Th4 tetrahedra, corners with seven equivalent O(2)CeTh3 tetrahedra, edges with three equivalent O(3)Ce3Th tetrahedra, and edges with three equivalent O(4)Th4 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  a cornercorner with one O(1)Th4 tetrahedra, corners with three equivalent O(2)CeTh3 tetrahedra, corners with three equivalent O(4)Th4 tetrahedra, corners with nine equivalent O(3)Ce3Th tetrahedra, edges with three equivalent O(3)Ce3Th tetrahedra, and edges with three equivalent O(2)CeTh3 tetrahedra. In the fourth O site, O(4) is bonded to one Th(2) and three equivalent Th(1) atoms to form OTh4 tetrahedra that share corners with three equivalent O(3)Ce3Th tetrahedra, corners with three equivalent O(2)CeTh3 tetrahedra, corners with three equivalent O(1)Th4 tetrahedra, corners with seven equivalent O(4)Th4 tetrahedra, edges with three equivalent O(2)CeTh3 tetrahedra, and edges with three equivalent O(1)Th4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeTh3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.023
_cell_length_b   13.023
_cell_length_c   13.023
_cell_angle_alpha   17.385
_cell_angle_beta   17.385
_cell_angle_gamma   17.385
_symmetry_Int_Tables_number   1
_cell_volume   172.076
_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  0.000  0.000  0.000  1.0
  Th  Th1  1  0.251  0.251  0.251  1.0
  Th  Th2  1  0.500  0.500  0.500  1.0
  Th  Th3  1  0.749  0.749  0.749  1.0
  O  O4  1  0.812  0.812  0.812  1.0
  O  O5  1  0.061  0.061  0.061  1.0
  O  O6  1  0.314  0.314  0.314  1.0
  O  O7  1  0.563  0.563  0.563  1.0
  O  O8  1  0.437  0.437  0.437  1.0
  O  O9  1  0.686  0.686  0.686  1.0
  O  O10  1  0.939  0.939  0.939  1.0
  O  O11  1  0.188  0.188  0.188  1.0
[/CIF]
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