The material structure described by ThCe4O8 crystallizes in the orthorhombic Immm space group. Th(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) 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 four equivalent O(3)Ce4 tetrahedra, corners with six equivalent O(1)Ce2Th2 tetrahedra,  an edgeedge with one O(1)Ce2Th2 tetrahedra, and edges with four equivalent O(2)Ce2Th2 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 two equivalent O(3)Ce4 tetrahedra, corners with four equivalent O(1)Ce2Th2 tetrahedra, corners with six equivalent O(2)Ce2Th2 tetrahedra,  an edgeedge with one O(2)Ce2Th2 tetrahedra,  an edgeedge with one O(3)Ce4 tetrahedra, and edges with four equivalent O(1)Ce2Th2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form OCe4 tetrahedra that share corners with two equivalent O(2)Ce2Th2 tetrahedra, corners with four equivalent O(1)Ce2Th2 tetrahedra, corners with four equivalent O(3)Ce4 tetrahedra, corners with six equivalent O(4)Ce4 tetrahedra,  an edgeedge with one O(2)Ce2Th2 tetrahedra, and  an edgeedge with one O(4)Ce4 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Ce(2) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce4ThO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.177
_cell_length_b   14.177
_cell_length_c   14.177
_cell_angle_alpha   164.097
_cell_angle_beta   163.933
_cell_angle_gamma   22.681
_symmetry_Int_Tables_number   1
_cell_volume   216.058
_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  0.403  0.903  0.500  1.0
  Ce  Ce1  1  0.797  0.297  0.500  1.0
  Ce  Ce2  1  0.203  0.703  0.500  1.0
  Ce  Ce3  1  0.597  0.097  0.500  1.0
  Th  Th4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.447  0.447  0.000  1.0
  O  O6  1  0.951  0.951  0.000  1.0
  O  O7  1  0.848  0.848  0.000  1.0
  O  O8  1  0.258  0.258  0.000  1.0
  O  O9  1  0.742  0.742  0.000  1.0
  O  O10  1  0.152  0.152  0.000  1.0
  O  O11  1  0.049  0.049  0.000  1.0
  O  O12  1  0.553  0.553  0.000  1.0
[/CIF]
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The material structure described by ThCe4O8 crystallizes in the orthorhombic Immm space group. Th(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) 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 four equivalent O(3)Ce4 tetrahedra, corners with six equivalent O(1)Ce2Th2 tetrahedra,  an edgeedge with one O(1)Ce2Th2 tetrahedra, and edges with four equivalent O(2)Ce2Th2 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 two equivalent O(3)Ce4 tetrahedra, corners with four equivalent O(1)Ce2Th2 tetrahedra, corners with six equivalent O(2)Ce2Th2 tetrahedra,  an edgeedge with one O(2)Ce2Th2 tetrahedra,  an edgeedge with one O(3)Ce4 tetrahedra, and edges with four equivalent O(1)Ce2Th2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form OCe4 tetrahedra that share corners with two equivalent O(2)Ce2Th2 tetrahedra, corners with four equivalent O(1)Ce2Th2 tetrahedra, corners with four equivalent O(3)Ce4 tetrahedra, corners with six equivalent O(4)Ce4 tetrahedra,  an edgeedge with one O(2)Ce2Th2 tetrahedra, and  an edgeedge with one O(4)Ce4 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Ce(2) atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce4ThO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.177
_cell_length_b   14.177
_cell_length_c   14.177
_cell_angle_alpha   164.097
_cell_angle_beta   163.933
_cell_angle_gamma   22.681
_symmetry_Int_Tables_number   1
_cell_volume   216.058
_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  0.403  0.903  0.500  1.0
  Ce  Ce1  1  0.797  0.297  0.500  1.0
  Ce  Ce2  1  0.203  0.703  0.500  1.0
  Ce  Ce3  1  0.597  0.097  0.500  1.0
  Th  Th4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.447  0.447  0.000  1.0
  O  O6  1  0.951  0.951  0.000  1.0
  O  O7  1  0.848  0.848  0.000  1.0
  O  O8  1  0.258  0.258  0.000  1.0
  O  O9  1  0.742  0.742  0.000  1.0
  O  O10  1  0.152  0.152  0.000  1.0
  O  O11  1  0.049  0.049  0.000  1.0
  O  O12  1  0.553  0.553  0.000  1.0
[/CIF]
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