data_Ce4ThO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   6.79
_cell_angle_alpha   99.81
_cell_angle_beta   99.81
_cell_angle_gamma   131.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce4ThO9
_chemical_formula_sum   'Ce4 Th1 O9'
_cell_volume   214.7
_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  0.84  0.96  0.34  1.0
  Ce  Ce1  1  0.04  0.84  0.26  1.0
  Ce  Ce2  1  0.53  0.41  0.54  1.0
  Ce  Ce3  1  0.34  0.53  0.46  1.0
  Th  Th4  1  0.38  0.0  0.4  1.0
  O  O5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.79  0.7  0.03  1.0
  O  O7  1  0.32  0.58  0.77  1.0
  O  O8  1  0.98  0.2  0.97  1.0
  O  O9  1  0.4  0.17  0.78  1.0
  O  O10  1  0.05  0.79  0.97  1.0
  O  O11  1  0.83  0.4  0.83  1.0
  O  O12  1  0.55  0.98  0.03  1.0
  O  O13  1  0.58  0.68  0.84  1.0

data_Ce4ThO9
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.61
_cell_length_b   6.79
_cell_length_c   6.79
_cell_angle_alpha   80.19
_cell_angle_beta   65.63
_cell_angle_gamma   65.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce4ThO9
_chemical_formula_sum   'Ce4 Th1 O9'
_cell_volume   214.7
_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  0.41  0.12  0.46  1.0
  Ce  Ce1  1  0.53  0.81  0.54  1.0
  Ce  Ce2  1  0.84  0.19  0.74  1.0
  Ce  Ce3  1  0.96  0.88  0.66  1.0
  Th  Th4  1  0.0  0.38  0.6  1.0
  O  O5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.17  0.23  0.22  1.0
  O  O7  1  0.2  0.77  0.03  1.0
  O  O8  1  0.4  0.43  0.17  1.0
  O  O9  1  0.58  0.74  0.23  1.0
  O  O10  1  0.68  0.91  0.16  1.0
  O  O11  1  0.7  0.09  0.97  1.0
  O  O12  1  0.79  0.26  0.03  1.0
  O  O13  1  0.98  0.57  0.97  1.0

Ce Ce Ce Ce Th O O O O O O O O O
Ce Ce Ce Ce Th O O O O O O O O O 0 1 + o o 0 6 o o o 0 12 o o o 1 6 - o o 1 4 o + o 2 3 o o o 2 13 o o o 2 4 o o o 2 9 o o o 3 7 o o o 3 13 o o o 4 9 o o o 5 8 - o - 5 10 o - - 5 6 - - o 6 13 o o - 6 10 + o - 6 9 o o - 6 11 o o - 7 13 o o o 7 12 o o + 8 11 o o o 8 12 o - + 9 10 o - o 9 13 o o o 9 12 o - + 9 11 o o o 10 11 - o o 10 12 o o + 12 13 o o - 
ThCe4O9 crystallizes in the triclinic P1 space group. Th(1) is bonded in a 8-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), one Ce(4), one O(5), one O(6), one O(7), and one O(8) atom. The Th(1)-Ce(1) bond length is 3.44 Å. The Th(1)-Ce(2) bond length is 1.74 Å. The Th(1)-Ce(3) bond length is 2.17 Å. The Th(1)-Ce(4) bond length is 3.13 Å. The Th(1)-O(5) bond length is 2.55 Å. The Th(1)-O(6) bond length is 2.81 Å. The Th(1)-O(7) bond length is 2.92 Å. The Th(1)-O(8) bond length is 3.00 Å. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 2-coordinate geometry to one Th(1), one O(1), one O(2), and one O(8) atom. The Ce(1)-O(1) bond length is 2.71 Å. The Ce(1)-O(2) bond length is 2.33 Å. The Ce(1)-O(8) bond length is 2.75 Å. In the second Ce site, Ce(2) is bonded in a 1-coordinate geometry to one Th(1), one O(1), one O(2), and one O(6) atom. The Ce(2)-O(1) bond length is 2.28 Å. The Ce(2)-O(2) bond length is 1.60 Å. The Ce(2)-O(6) bond length is 2.02 Å. In the third Ce site, Ce(3) is bonded in a 2-coordinate geometry to one Th(1), one O(5), one O(6), one O(7), and one O(9) atom. The Ce(3)-O(5) bond length is 2.35 Å. The Ce(3)-O(6) bond length is 3.07 Å. The Ce(3)-O(7) bond length is 2.63 Å. The Ce(3)-O(9) bond length is 2.27 Å. In the fourth Ce site, Ce(4) is bonded in a distorted single-bond geometry to one Th(1), one O(1), one O(3), and one O(4) atom. The Ce(4)-O(1) bond length is 3.29 Å. The Ce(4)-O(3) bond length is 2.10 Å. The Ce(4)-O(4) bond length is 3.07 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Ce(1), one Ce(2), one Ce(4), one O(2), one O(4), one O(6), and one O(9) atom. The O(1)-O(2) bond length is 1.63 Å. The O(1)-O(4) bond length is 1.53 Å. The O(1)-O(6) bond length is 1.63 Å. The O(1)-O(9) bond length is 2.00 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ce(1), one Ce(2), one O(1), and one O(6) atom. The O(2)-O(6) bond length is 1.60 Å. In the third O site, O(3) is bonded in a distorted L-shaped geometry to one Ce(4) and one O(9) atom. The O(3)-O(9) bond length is 1.34 Å. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Ce(4) and one O(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Th(1) and one Ce(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Th(1), one Ce(2), one Ce(3), one O(1), one O(2), and one O(7) atom. The O(6)-O(7) bond length is 1.93 Å. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Th(1), one Ce(3), and one O(6) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Th(1) and one Ce(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ce(3), one O(1), and one O(3) atom.