The material described by CeCH3SO7 crystallizes in the tetragonal P4_1 space group. Ce(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), two equivalent O(5), and two equivalent O(6) atoms. C(1) is bonded in a trigonal planar geometry to one H(1), one O(5), and one O(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(7) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one S(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Ce(1) and one S(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one C(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one C(1) atom. In the fifth O site, O(7) is bonded in a water-like geometry to one Ce(1), one H(2), and one H(3) atom. In the sixth O site, O(1) is bonded in a 1-coordinate geometry to one Ce(1) and one S(1) atom. In the seventh O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeH3CSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.067
_cell_length_b   7.067
_cell_length_c   12.040
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.334
_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  0.866  0.607  0.724  1.0
  Ce  Ce1  1  0.134  0.393  0.224  1.0
  Ce  Ce2  1  0.607  0.134  0.474  1.0
  Ce  Ce3  1  0.393  0.866  0.974  1.0
  H  H4  1  0.350  0.524  0.681  1.0
  H  H5  1  0.650  0.476  0.181  1.0
  H  H6  1  0.524  0.650  0.431  1.0
  H  H7  1  0.476  0.350  0.931  1.0
  H  H8  1  0.045  0.885  0.552  1.0
  H  H9  1  0.955  0.115  0.052  1.0
  H  H10  1  0.885  0.955  0.302  1.0
  H  H11  1  0.115  0.045  0.802  1.0
  H  H12  1  0.087  0.685  0.501  1.0
  H  H13  1  0.913  0.315  0.001  1.0
  H  H14  1  0.685  0.913  0.251  1.0
  H  H15  1  0.315  0.087  0.751  1.0
  C  C16  1  0.356  0.606  0.759  1.0
  C  C17  1  0.644  0.394  0.259  1.0
  C  C18  1  0.606  0.644  0.509  1.0
  C  C19  1  0.394  0.356  0.009  1.0
  S  S20  1  0.741  0.111  0.778  1.0
  S  S21  1  0.259  0.889  0.278  1.0
  S  S22  1  0.111  0.259  0.528  1.0
  S  S23  1  0.889  0.741  0.028  1.0
  O  O24  1  0.886  0.960  0.754  1.0
  O  O25  1  0.114  0.040  0.254  1.0
  O  O26  1  0.960  0.114  0.504  1.0
  O  O27  1  0.040  0.886  0.004  1.0
  O  O28  1  0.620  0.047  0.871  1.0
  O  O29  1  0.380  0.953  0.371  1.0
  O  O30  1  0.047  0.380  0.621  1.0
  O  O31  1  0.953  0.620  0.121  1.0
  O  O32  1  0.623  0.147  0.678  1.0
  O  O33  1  0.377  0.853  0.178  1.0
  O  O34  1  0.147  0.377  0.428  1.0
  O  O35  1  0.853  0.623  0.928  1.0
  O  O36  1  0.838  0.288  0.813  1.0
  O  O37  1  0.162  0.712  0.313  1.0
  O  O38  1  0.288  0.162  0.563  1.0
  O  O39  1  0.712  0.838  0.063  1.0
  O  O40  1  0.202  0.648  0.808  1.0
  O  O41  1  0.798  0.352  0.308  1.0
  O  O42  1  0.648  0.798  0.558  1.0
  O  O43  1  0.352  0.202  0.058  1.0
  O  O44  1  0.516  0.655  0.798  1.0
  O  O45  1  0.484  0.345  0.298  1.0
  O  O46  1  0.655  0.484  0.548  1.0
  O  O47  1  0.345  0.516  0.048  1.0
  O  O48  1  0.067  0.751  0.571  1.0
  O  O49  1  0.933  0.249  0.071  1.0
  O  O50  1  0.751  0.933  0.321  1.0
  O  O51  1  0.249  0.067  0.821  1.0
[/CIF]
.
The material described by CeCH3SO7 crystallizes in the tetragonal P4_1 space group. Ce(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), two equivalent O(5), and two equivalent O(6) atoms. C(1) is bonded in a trigonal planar geometry to one H(1), one O(5), and one O(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(7) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one S(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Ce(1) and one S(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one C(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ce(1) and one C(1) atom. In the fifth O site, O(7) is bonded in a water-like geometry to one Ce(1), one H(2), and one H(3) atom. In the sixth O site, O(1) is bonded in a 1-coordinate geometry to one Ce(1) and one S(1) atom. In the seventh O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeH3CSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.067
_cell_length_b   7.067
_cell_length_c   12.040
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.334
_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  0.866  0.607  0.724  1.0
  Ce  Ce1  1  0.134  0.393  0.224  1.0
  Ce  Ce2  1  0.607  0.134  0.474  1.0
  Ce  Ce3  1  0.393  0.866  0.974  1.0
  H  H4  1  0.350  0.524  0.681  1.0
  H  H5  1  0.650  0.476  0.181  1.0
  H  H6  1  0.524  0.650  0.431  1.0
  H  H7  1  0.476  0.350  0.931  1.0
  H  H8  1  0.045  0.885  0.552  1.0
  H  H9  1  0.955  0.115  0.052  1.0
  H  H10  1  0.885  0.955  0.302  1.0
  H  H11  1  0.115  0.045  0.802  1.0
  H  H12  1  0.087  0.685  0.501  1.0
  H  H13  1  0.913  0.315  0.001  1.0
  H  H14  1  0.685  0.913  0.251  1.0
  H  H15  1  0.315  0.087  0.751  1.0
  C  C16  1  0.356  0.606  0.759  1.0
  C  C17  1  0.644  0.394  0.259  1.0
  C  C18  1  0.606  0.644  0.509  1.0
  C  C19  1  0.394  0.356  0.009  1.0
  S  S20  1  0.741  0.111  0.778  1.0
  S  S21  1  0.259  0.889  0.278  1.0
  S  S22  1  0.111  0.259  0.528  1.0
  S  S23  1  0.889  0.741  0.028  1.0
  O  O24  1  0.886  0.960  0.754  1.0
  O  O25  1  0.114  0.040  0.254  1.0
  O  O26  1  0.960  0.114  0.504  1.0
  O  O27  1  0.040  0.886  0.004  1.0
  O  O28  1  0.620  0.047  0.871  1.0
  O  O29  1  0.380  0.953  0.371  1.0
  O  O30  1  0.047  0.380  0.621  1.0
  O  O31  1  0.953  0.620  0.121  1.0
  O  O32  1  0.623  0.147  0.678  1.0
  O  O33  1  0.377  0.853  0.178  1.0
  O  O34  1  0.147  0.377  0.428  1.0
  O  O35  1  0.853  0.623  0.928  1.0
  O  O36  1  0.838  0.288  0.813  1.0
  O  O37  1  0.162  0.712  0.313  1.0
  O  O38  1  0.288  0.162  0.563  1.0
  O  O39  1  0.712  0.838  0.063  1.0
  O  O40  1  0.202  0.648  0.808  1.0
  O  O41  1  0.798  0.352  0.308  1.0
  O  O42  1  0.648  0.798  0.558  1.0
  O  O43  1  0.352  0.202  0.058  1.0
  O  O44  1  0.516  0.655  0.798  1.0
  O  O45  1  0.484  0.345  0.298  1.0
  O  O46  1  0.655  0.484  0.548  1.0
  O  O47  1  0.345  0.516  0.048  1.0
  O  O48  1  0.067  0.751  0.571  1.0
  O  O49  1  0.933  0.249  0.071  1.0
  O  O50  1  0.751  0.933  0.321  1.0
  O  O51  1  0.249  0.067  0.821  1.0
[/CIF]
.