The crystal structure described by Ce3S2O3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to three equivalent S(2), one O(1), and three equivalent O(2) atoms. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), one O(1), one O(2), and two equivalent O(3) atoms. In the third Ce site, Ce(3) is bonded in a 3-coordinate geometry to one S(2), four equivalent S(1), one O(3), and two equivalent O(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Ce(2) and four equivalent Ce(3) atoms. In the second S site, S(2) is bonded to one Ce(3), two equivalent Ce(2), and three equivalent Ce(1) atoms to form SCe6 octahedra that share corners with three equivalent O(1)Ce4 tetrahedra, corners with five equivalent O(2)Ce4 tetrahedra, edges with four equivalent S(2)Ce6 octahedra, edges with two equivalent O(1)Ce4 tetrahedra, and edges with three equivalent O(2)Ce4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form OCe4 tetrahedra that share corners with three equivalent S(2)Ce6 octahedra, corners with two equivalent O(1)Ce4 tetrahedra, corners with two equivalent O(2)Ce4 tetrahedra, edges with two equivalent S(2)Ce6 octahedra, and  an edgeedge with one O(2)Ce4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-51°. In the second O site, O(2) is bonded to one Ce(2) and three equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with five equivalent S(2)Ce6 octahedra, corners with two equivalent O(1)Ce4 tetrahedra, corners with two equivalent O(2)Ce4 tetrahedra, edges with three equivalent S(2)Ce6 octahedra,  an edgeedge with one O(1)Ce4 tetrahedra, and edges with two equivalent O(2)Ce4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ce(3) and two equivalent Ce(2) atoms. is represented by the CIF card [CIF]
data_Ce3S2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.966
_cell_length_b   6.842
_cell_length_c   21.524
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.058
_cell_formula_units_Z   4
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  0.750  0.723  0.474  1.0
  Ce  Ce1  1  0.250  0.277  0.526  1.0
  Ce  Ce2  1  0.750  0.223  0.026  1.0
  Ce  Ce3  1  0.250  0.777  0.974  1.0
  Ce  Ce4  1  0.750  0.786  0.133  1.0
  Ce  Ce5  1  0.250  0.214  0.867  1.0
  Ce  Ce6  1  0.750  0.286  0.367  1.0
  Ce  Ce7  1  0.250  0.714  0.633  1.0
  Ce  Ce8  1  0.750  0.790  0.812  1.0
  Ce  Ce9  1  0.250  0.210  0.188  1.0
  Ce  Ce10  1  0.750  0.290  0.688  1.0
  Ce  Ce11  1  0.250  0.710  0.312  1.0
  S  S12  1  0.750  0.505  0.229  1.0
  S  S13  1  0.250  0.495  0.771  1.0
  S  S14  1  0.750  0.005  0.271  1.0
  S  S15  1  0.250  0.995  0.729  1.0
  S  S16  1  0.750  0.005  0.578  1.0
  S  S17  1  0.250  0.995  0.422  1.0
  S  S18  1  0.750  0.505  0.922  1.0
  S  S19  1  0.250  0.495  0.078  1.0
  O  O20  1  0.750  0.641  0.372  1.0
  O  O21  1  0.250  0.359  0.628  1.0
  O  O22  1  0.750  0.141  0.128  1.0
  O  O23  1  0.250  0.859  0.872  1.0
  O  O24  1  0.750  0.872  0.025  1.0
  O  O25  1  0.250  0.128  0.975  1.0
  O  O26  1  0.750  0.372  0.475  1.0
  O  O27  1  0.250  0.628  0.525  1.0
  O  O28  1  0.750  0.617  0.665  1.0
  O  O29  1  0.250  0.383  0.335  1.0
  O  O30  1  0.750  0.117  0.835  1.0
  O  O31  1  0.250  0.883  0.165  1.0
[/CIF]
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The crystal structure described by Ce3S2O3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to three equivalent S(2), one O(1), and three equivalent O(2) atoms. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), one O(1), one O(2), and two equivalent O(3) atoms. In the third Ce site, Ce(3) is bonded in a 3-coordinate geometry to one S(2), four equivalent S(1), one O(3), and two equivalent O(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one Ce(2) and four equivalent Ce(3) atoms. In the second S site, S(2) is bonded to one Ce(3), two equivalent Ce(2), and three equivalent Ce(1) atoms to form SCe6 octahedra that share corners with three equivalent O(1)Ce4 tetrahedra, corners with five equivalent O(2)Ce4 tetrahedra, edges with four equivalent S(2)Ce6 octahedra, edges with two equivalent O(1)Ce4 tetrahedra, and edges with three equivalent O(2)Ce4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form OCe4 tetrahedra that share corners with three equivalent S(2)Ce6 octahedra, corners with two equivalent O(1)Ce4 tetrahedra, corners with two equivalent O(2)Ce4 tetrahedra, edges with two equivalent S(2)Ce6 octahedra, and  an edgeedge with one O(2)Ce4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-51°. In the second O site, O(2) is bonded to one Ce(2) and three equivalent Ce(1) atoms to form OCe4 tetrahedra that share corners with five equivalent S(2)Ce6 octahedra, corners with two equivalent O(1)Ce4 tetrahedra, corners with two equivalent O(2)Ce4 tetrahedra, edges with three equivalent S(2)Ce6 octahedra,  an edgeedge with one O(1)Ce4 tetrahedra, and edges with two equivalent O(2)Ce4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ce(3) and two equivalent Ce(2) atoms. is represented by the CIF card [CIF]
data_Ce3S2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.966
_cell_length_b   6.842
_cell_length_c   21.524
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.058
_cell_formula_units_Z   4
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  0.750  0.723  0.474  1.0
  Ce  Ce1  1  0.250  0.277  0.526  1.0
  Ce  Ce2  1  0.750  0.223  0.026  1.0
  Ce  Ce3  1  0.250  0.777  0.974  1.0
  Ce  Ce4  1  0.750  0.786  0.133  1.0
  Ce  Ce5  1  0.250  0.214  0.867  1.0
  Ce  Ce6  1  0.750  0.286  0.367  1.0
  Ce  Ce7  1  0.250  0.714  0.633  1.0
  Ce  Ce8  1  0.750  0.790  0.812  1.0
  Ce  Ce9  1  0.250  0.210  0.188  1.0
  Ce  Ce10  1  0.750  0.290  0.688  1.0
  Ce  Ce11  1  0.250  0.710  0.312  1.0
  S  S12  1  0.750  0.505  0.229  1.0
  S  S13  1  0.250  0.495  0.771  1.0
  S  S14  1  0.750  0.005  0.271  1.0
  S  S15  1  0.250  0.995  0.729  1.0
  S  S16  1  0.750  0.005  0.578  1.0
  S  S17  1  0.250  0.995  0.422  1.0
  S  S18  1  0.750  0.505  0.922  1.0
  S  S19  1  0.250  0.495  0.078  1.0
  O  O20  1  0.750  0.641  0.372  1.0
  O  O21  1  0.250  0.359  0.628  1.0
  O  O22  1  0.750  0.141  0.128  1.0
  O  O23  1  0.250  0.859  0.872  1.0
  O  O24  1  0.750  0.872  0.025  1.0
  O  O25  1  0.250  0.128  0.975  1.0
  O  O26  1  0.750  0.372  0.475  1.0
  O  O27  1  0.250  0.628  0.525  1.0
  O  O28  1  0.750  0.617  0.665  1.0
  O  O29  1  0.250  0.383  0.335  1.0
  O  O30  1  0.750  0.117  0.835  1.0
  O  O31  1  0.250  0.883  0.165  1.0
[/CIF]
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