The material described by Ce2S2O crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to two equivalent S(2), four equivalent S(1), and one O(1) atom. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one S(1), three equivalent S(2), and three equivalent O(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ce(2) and four equivalent Ce(1) atoms to form distorted SCe5 trigonal bipyramids that share corners with three equivalent O(1)Ce4 tetrahedra, corners with four equivalent S(1)Ce5 trigonal bipyramids, corners with nine equivalent S(2)Ce5 trigonal bipyramids, edges with two equivalent O(1)Ce4 tetrahedra,  an edgeedge with one S(2)Ce5 trigonal bipyramid, and edges with four equivalent S(1)Ce5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Ce(1) and three equivalent Ce(2) atoms to form distorted SCe5 trigonal bipyramids that share corners with three equivalent O(1)Ce4 tetrahedra, corners with two equivalent S(2)Ce5 trigonal bipyramids, corners with nine equivalent S(1)Ce5 trigonal bipyramids, edges with four equivalent O(1)Ce4 tetrahedra,  an edgeedge with one S(1)Ce5 trigonal bipyramid, and edges with three equivalent S(2)Ce5 trigonal bipyramids. O(1) is bonded to one Ce(1) and three equivalent Ce(2) atoms to form OCe4 tetrahedra that share corners with four equivalent O(1)Ce4 tetrahedra, corners with three equivalent S(1)Ce5 trigonal bipyramids, corners with three equivalent S(2)Ce5 trigonal bipyramids,  an edgeedge with one O(1)Ce4 tetrahedra, edges with two equivalent S(1)Ce5 trigonal bipyramids, and edges with four equivalent S(2)Ce5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ce2S2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.215
_cell_length_b   7.005
_cell_length_c   8.500
_cell_angle_alpha   82.453
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.847
_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  0.556  0.247  0.139  1.0
  Ce  Ce1  1  0.944  0.747  0.139  1.0
  Ce  Ce2  1  0.127  0.305  0.415  1.0
  Ce  Ce3  1  0.373  0.805  0.415  1.0
  Ce  Ce4  1  0.627  0.195  0.585  1.0
  Ce  Ce5  1  0.873  0.695  0.585  1.0
  Ce  Ce6  1  0.056  0.253  0.861  1.0
  Ce  Ce7  1  0.444  0.753  0.861  1.0
  S  S8  1  0.230  0.474  0.081  1.0
  S  S9  1  0.270  0.974  0.081  1.0
  S  S10  1  0.842  0.049  0.331  1.0
  S  S11  1  0.658  0.549  0.331  1.0
  S  S12  1  0.342  0.451  0.669  1.0
  S  S13  1  0.158  0.951  0.669  1.0
  S  S14  1  0.730  0.026  0.919  1.0
  S  S15  1  0.770  0.526  0.919  1.0
  O  O16  1  0.411  0.149  0.385  1.0
  O  O17  1  0.089  0.649  0.385  1.0
  O  O18  1  0.911  0.351  0.615  1.0
  O  O19  1  0.589  0.851  0.615  1.0
[/CIF]
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The material described by Ce2S2O crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to two equivalent S(2), four equivalent S(1), and one O(1) atom. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to one S(1), three equivalent S(2), and three equivalent O(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ce(2) and four equivalent Ce(1) atoms to form distorted SCe5 trigonal bipyramids that share corners with three equivalent O(1)Ce4 tetrahedra, corners with four equivalent S(1)Ce5 trigonal bipyramids, corners with nine equivalent S(2)Ce5 trigonal bipyramids, edges with two equivalent O(1)Ce4 tetrahedra,  an edgeedge with one S(2)Ce5 trigonal bipyramid, and edges with four equivalent S(1)Ce5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Ce(1) and three equivalent Ce(2) atoms to form distorted SCe5 trigonal bipyramids that share corners with three equivalent O(1)Ce4 tetrahedra, corners with two equivalent S(2)Ce5 trigonal bipyramids, corners with nine equivalent S(1)Ce5 trigonal bipyramids, edges with four equivalent O(1)Ce4 tetrahedra,  an edgeedge with one S(1)Ce5 trigonal bipyramid, and edges with three equivalent S(2)Ce5 trigonal bipyramids. O(1) is bonded to one Ce(1) and three equivalent Ce(2) atoms to form OCe4 tetrahedra that share corners with four equivalent O(1)Ce4 tetrahedra, corners with three equivalent S(1)Ce5 trigonal bipyramids, corners with three equivalent S(2)Ce5 trigonal bipyramids,  an edgeedge with one O(1)Ce4 tetrahedra, edges with two equivalent S(1)Ce5 trigonal bipyramids, and edges with four equivalent S(2)Ce5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ce2S2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.215
_cell_length_b   7.005
_cell_length_c   8.500
_cell_angle_alpha   82.453
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.847
_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  0.556  0.247  0.139  1.0
  Ce  Ce1  1  0.944  0.747  0.139  1.0
  Ce  Ce2  1  0.127  0.305  0.415  1.0
  Ce  Ce3  1  0.373  0.805  0.415  1.0
  Ce  Ce4  1  0.627  0.195  0.585  1.0
  Ce  Ce5  1  0.873  0.695  0.585  1.0
  Ce  Ce6  1  0.056  0.253  0.861  1.0
  Ce  Ce7  1  0.444  0.753  0.861  1.0
  S  S8  1  0.230  0.474  0.081  1.0
  S  S9  1  0.270  0.974  0.081  1.0
  S  S10  1  0.842  0.049  0.331  1.0
  S  S11  1  0.658  0.549  0.331  1.0
  S  S12  1  0.342  0.451  0.669  1.0
  S  S13  1  0.158  0.951  0.669  1.0
  S  S14  1  0.730  0.026  0.919  1.0
  S  S15  1  0.770  0.526  0.919  1.0
  O  O16  1  0.411  0.149  0.385  1.0
  O  O17  1  0.089  0.649  0.385  1.0
  O  O18  1  0.911  0.351  0.615  1.0
  O  O19  1  0.589  0.851  0.615  1.0
[/CIF]
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