The material structure described by Th2CeO6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. Th(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Th(1) and one Ce(1) atom to form OCeTh3 tetrahedra that share corners with six equivalent O(2)Ce2Th2 tetrahedra, corners with ten equivalent O(1)CeTh3 tetrahedra, edges with two equivalent O(2)Ce2Th2 tetrahedra, and edges with four equivalent O(1)CeTh3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(1) and two equivalent Ce(1) atoms to form OCe2Th2 tetrahedra that share corners with four equivalent O(2)Ce2Th2 tetrahedra, corners with twelve equivalent O(1)CeTh3 tetrahedra, edges with two equivalent O(2)Ce2Th2 tetrahedra, and edges with four equivalent O(1)CeTh3 tetrahedra. is represented by the CIF file [CIF]
data_CeTh2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.928
_cell_length_b   6.794
_cell_length_c   5.549
_cell_angle_alpha   65.880
_cell_angle_beta   89.991
_cell_angle_gamma   73.194
_symmetry_Int_Tables_number   1
_cell_volume   128.195
_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  0.329  0.334  0.334  1.0
  Th  Th1  1  0.664  0.665  0.668  1.0
  Th  Th2  1  0.995  0.002  0.999  1.0
  O  O3  1  0.165  0.663  0.922  1.0
  O  O4  1  0.830  0.333  0.579  1.0
  O  O5  1  0.165  0.663  0.417  1.0
  O  O6  1  0.494  0.004  0.745  1.0
  O  O7  1  0.829  0.334  0.088  1.0
  O  O8  1  0.494  0.004  0.250  1.0
[/CIF]
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The material structure described by Th2CeO6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. Th(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Th(1) and one Ce(1) atom to form OCeTh3 tetrahedra that share corners with six equivalent O(2)Ce2Th2 tetrahedra, corners with ten equivalent O(1)CeTh3 tetrahedra, edges with two equivalent O(2)Ce2Th2 tetrahedra, and edges with four equivalent O(1)CeTh3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(1) and two equivalent Ce(1) atoms to form OCe2Th2 tetrahedra that share corners with four equivalent O(2)Ce2Th2 tetrahedra, corners with twelve equivalent O(1)CeTh3 tetrahedra, edges with two equivalent O(2)Ce2Th2 tetrahedra, and edges with four equivalent O(1)CeTh3 tetrahedra. is represented by the CIF file [CIF]
data_CeTh2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.928
_cell_length_b   6.794
_cell_length_c   5.549
_cell_angle_alpha   65.880
_cell_angle_beta   89.991
_cell_angle_gamma   73.194
_symmetry_Int_Tables_number   1
_cell_volume   128.195
_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  0.329  0.334  0.334  1.0
  Th  Th1  1  0.664  0.665  0.668  1.0
  Th  Th2  1  0.995  0.002  0.999  1.0
  O  O3  1  0.165  0.663  0.922  1.0
  O  O4  1  0.830  0.333  0.579  1.0
  O  O5  1  0.165  0.663  0.417  1.0
  O  O6  1  0.494  0.004  0.745  1.0
  O  O7  1  0.829  0.334  0.088  1.0
  O  O8  1  0.494  0.004  0.250  1.0
[/CIF]
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