The compound described by Th2CeO6 is Fluorite-derived structured and crystallizes in the trigonal P-3m1 space group. Th(1) is bonded in a body-centered cubic geometry to one O(2), three equivalent O(1), and four equivalent O(3) atoms. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. There are three 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 three equivalent O(2)Ce3Th tetrahedra, corners with six equivalent O(3)Th4 tetrahedra, corners with seven equivalent O(1)CeTh3 tetrahedra, edges with three equivalent O(2)Ce3Th tetrahedra, and edges with three equivalent O(3)Th4 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 corners with three equivalent O(1)CeTh3 tetrahedra, corners with four equivalent O(3)Th4 tetrahedra, corners with nine equivalent O(2)Ce3Th tetrahedra, edges with three equivalent O(2)Ce3Th tetrahedra, and edges with three equivalent O(1)CeTh3 tetrahedra. In the third O site, O(3) is bonded to four equivalent Th(1) atoms to form OTh4 tetrahedra that share corners with four equivalent O(2)Ce3Th tetrahedra, corners with six equivalent O(1)CeTh3 tetrahedra, corners with six equivalent O(3)Th4 tetrahedra, edges with three equivalent O(1)CeTh3 tetrahedra, and edges with three equivalent O(3)Th4 tetrahedra. is represented by the CIF card [CIF]
data_CeTh2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.927
_cell_length_b   3.927
_cell_length_c   9.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.146
_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  0.333  0.667  0.670  1.0
  Th  Th2  1  0.667  0.333  0.330  1.0
  O  O3  1  0.000  0.000  0.245  1.0
  O  O4  1  0.333  0.667  0.921  1.0
  O  O5  1  0.667  0.333  0.585  1.0
  O  O6  1  0.667  0.333  0.079  1.0
  O  O7  1  0.000  0.000  0.755  1.0
  O  O8  1  0.333  0.667  0.415  1.0
[/CIF]
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The compound described by Th2CeO6 is Fluorite-derived structured and crystallizes in the trigonal P-3m1 space group. Th(1) is bonded in a body-centered cubic geometry to one O(2), three equivalent O(1), and four equivalent O(3) atoms. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. There are three 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 three equivalent O(2)Ce3Th tetrahedra, corners with six equivalent O(3)Th4 tetrahedra, corners with seven equivalent O(1)CeTh3 tetrahedra, edges with three equivalent O(2)Ce3Th tetrahedra, and edges with three equivalent O(3)Th4 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 corners with three equivalent O(1)CeTh3 tetrahedra, corners with four equivalent O(3)Th4 tetrahedra, corners with nine equivalent O(2)Ce3Th tetrahedra, edges with three equivalent O(2)Ce3Th tetrahedra, and edges with three equivalent O(1)CeTh3 tetrahedra. In the third O site, O(3) is bonded to four equivalent Th(1) atoms to form OTh4 tetrahedra that share corners with four equivalent O(2)Ce3Th tetrahedra, corners with six equivalent O(1)CeTh3 tetrahedra, corners with six equivalent O(3)Th4 tetrahedra, edges with three equivalent O(1)CeTh3 tetrahedra, and edges with three equivalent O(3)Th4 tetrahedra. is represented by the CIF card [CIF]
data_CeTh2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.927
_cell_length_b   3.927
_cell_length_c   9.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.146
_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  0.333  0.667  0.670  1.0
  Th  Th2  1  0.667  0.333  0.330  1.0
  O  O3  1  0.000  0.000  0.245  1.0
  O  O4  1  0.333  0.667  0.921  1.0
  O  O5  1  0.667  0.333  0.585  1.0
  O  O6  1  0.667  0.333  0.079  1.0
  O  O7  1  0.000  0.000  0.755  1.0
  O  O8  1  0.333  0.667  0.415  1.0
[/CIF]
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