The material structure described by Th4Ce3O14 is Fluorite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Th(2), two equivalent Th(1), and one Ce(1) atom to form OCeTh3 tetrahedra that share corners with two equivalent O(1)CeTh3 tetrahedra, corners with four equivalent O(2)Ce2Th2 tetrahedra, corners with four equivalent O(4)Ce2Th2 tetrahedra, corners with six equivalent O(3)Ce2Th2 tetrahedra,  an edgeedge with one O(2)Ce2Th2 tetrahedra,  an edgeedge with one O(3)Ce2Th2 tetrahedra,  an edgeedge with one O(4)Ce2Th2 tetrahedra, and edges with three equivalent O(1)CeTh3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(2), one Ce(1), and one Ce(2) atom to form OCe2Th2 tetrahedra that share corners with two equivalent O(4)Ce2Th2 tetrahedra, corners with four equivalent O(2)Ce2Th2 tetrahedra, corners with four equivalent O(1)CeTh3 tetrahedra, corners with six equivalent O(3)Ce2Th2 tetrahedra,  an edgeedge with one O(1)CeTh3 tetrahedra, edges with two equivalent O(3)Ce2Th2 tetrahedra, and edges with three equivalent O(2)Ce2Th2 tetrahedra. In the third O site, O(3) is bonded to one Th(1), one Th(2), one Ce(1), and one Ce(2) atom to form OCe2Th2 tetrahedra that share corners with two equivalent O(3)Ce2Th2 tetrahedra, corners with two equivalent O(4)Ce2Th2 tetrahedra, corners with six equivalent O(2)Ce2Th2 tetrahedra, corners with six equivalent O(1)CeTh3 tetrahedra,  an edgeedge with one O(4)Ce2Th2 tetrahedra,  an edgeedge with one O(1)CeTh3 tetrahedra, edges with two equivalent O(2)Ce2Th2 tetrahedra, and edges with two equivalent O(3)Ce2Th2 tetrahedra. In the fourth O site, O(4) 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)Ce2Th2 tetrahedra, corners with eight equivalent O(1)CeTh3 tetrahedra, edges with two equivalent O(3)Ce2Th2 tetrahedra, edges with two equivalent O(4)Ce2Th2 tetrahedra, and edges with two equivalent O(1)CeTh3 tetrahedra. is represented by the CIF file [CIF]
data_Ce3Th4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.775
_cell_length_b   6.775
_cell_length_c   8.750
_cell_angle_alpha   82.607
_cell_angle_beta   82.607
_cell_angle_gamma   48.211
_symmetry_Int_Tables_number   1
_cell_volume   296.433
_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  0.429  0.429  0.715  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Ce  Ce2  1  0.571  0.571  0.285  1.0
  Th  Th3  1  0.142  0.142  0.572  1.0
  Th  Th4  1  0.714  0.714  0.858  1.0
  Th  Th5  1  0.286  0.286  0.142  1.0
  Th  Th6  1  0.858  0.858  0.428  1.0
  O  O7  1  0.040  0.534  0.644  1.0
  O  O8  1  0.534  0.040  0.644  1.0
  O  O9  1  0.109  0.610  0.928  1.0
  O  O10  1  0.610  0.109  0.928  1.0
  O  O11  1  0.819  0.319  0.787  1.0
  O  O12  1  0.319  0.819  0.787  1.0
  O  O13  1  0.390  0.891  0.072  1.0
  O  O14  1  0.681  0.181  0.213  1.0
  O  O15  1  0.466  0.960  0.356  1.0
  O  O16  1  0.960  0.466  0.356  1.0
  O  O17  1  0.181  0.681  0.213  1.0
  O  O18  1  0.891  0.390  0.072  1.0
  O  O19  1  0.744  0.256  0.500  1.0
  O  O20  1  0.256  0.744  0.500  1.0
[/CIF]
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The material structure described by Th4Ce3O14 is Fluorite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Th(2), two equivalent Th(1), and one Ce(1) atom to form OCeTh3 tetrahedra that share corners with two equivalent O(1)CeTh3 tetrahedra, corners with four equivalent O(2)Ce2Th2 tetrahedra, corners with four equivalent O(4)Ce2Th2 tetrahedra, corners with six equivalent O(3)Ce2Th2 tetrahedra,  an edgeedge with one O(2)Ce2Th2 tetrahedra,  an edgeedge with one O(3)Ce2Th2 tetrahedra,  an edgeedge with one O(4)Ce2Th2 tetrahedra, and edges with three equivalent O(1)CeTh3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Th(2), one Ce(1), and one Ce(2) atom to form OCe2Th2 tetrahedra that share corners with two equivalent O(4)Ce2Th2 tetrahedra, corners with four equivalent O(2)Ce2Th2 tetrahedra, corners with four equivalent O(1)CeTh3 tetrahedra, corners with six equivalent O(3)Ce2Th2 tetrahedra,  an edgeedge with one O(1)CeTh3 tetrahedra, edges with two equivalent O(3)Ce2Th2 tetrahedra, and edges with three equivalent O(2)Ce2Th2 tetrahedra. In the third O site, O(3) is bonded to one Th(1), one Th(2), one Ce(1), and one Ce(2) atom to form OCe2Th2 tetrahedra that share corners with two equivalent O(3)Ce2Th2 tetrahedra, corners with two equivalent O(4)Ce2Th2 tetrahedra, corners with six equivalent O(2)Ce2Th2 tetrahedra, corners with six equivalent O(1)CeTh3 tetrahedra,  an edgeedge with one O(4)Ce2Th2 tetrahedra,  an edgeedge with one O(1)CeTh3 tetrahedra, edges with two equivalent O(2)Ce2Th2 tetrahedra, and edges with two equivalent O(3)Ce2Th2 tetrahedra. In the fourth O site, O(4) 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)Ce2Th2 tetrahedra, corners with eight equivalent O(1)CeTh3 tetrahedra, edges with two equivalent O(3)Ce2Th2 tetrahedra, edges with two equivalent O(4)Ce2Th2 tetrahedra, and edges with two equivalent O(1)CeTh3 tetrahedra. is represented by the CIF file [CIF]
data_Ce3Th4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.775
_cell_length_b   6.775
_cell_length_c   8.750
_cell_angle_alpha   82.607
_cell_angle_beta   82.607
_cell_angle_gamma   48.211
_symmetry_Int_Tables_number   1
_cell_volume   296.433
_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  0.429  0.429  0.715  1.0
  Ce  Ce1  1  0.000  0.000  0.000  1.0
  Ce  Ce2  1  0.571  0.571  0.285  1.0
  Th  Th3  1  0.142  0.142  0.572  1.0
  Th  Th4  1  0.714  0.714  0.858  1.0
  Th  Th5  1  0.286  0.286  0.142  1.0
  Th  Th6  1  0.858  0.858  0.428  1.0
  O  O7  1  0.040  0.534  0.644  1.0
  O  O8  1  0.534  0.040  0.644  1.0
  O  O9  1  0.109  0.610  0.928  1.0
  O  O10  1  0.610  0.109  0.928  1.0
  O  O11  1  0.819  0.319  0.787  1.0
  O  O12  1  0.319  0.819  0.787  1.0
  O  O13  1  0.390  0.891  0.072  1.0
  O  O14  1  0.681  0.181  0.213  1.0
  O  O15  1  0.466  0.960  0.356  1.0
  O  O16  1  0.960  0.466  0.356  1.0
  O  O17  1  0.181  0.681  0.213  1.0
  O  O18  1  0.891  0.390  0.072  1.0
  O  O19  1  0.744  0.256  0.500  1.0
  O  O20  1  0.256  0.744  0.500  1.0
[/CIF]
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