The material structure described by CeCH3SO7 crystallizes in the tetragonal P4_3 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(4) and 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 3-coordinate geometry to one Ce(1), one H(3), 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 distorted single-bond 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   7.062
_cell_length_b   7.062
_cell_length_c   11.984
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   597.594
_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  0.133  0.392  0.478  1.0
  Ce  Ce1  1  0.867  0.608  0.978  1.0
  Ce  Ce2  1  0.392  0.867  0.728  1.0
  Ce  Ce3  1  0.608  0.133  0.228  1.0
  H  H4  1  0.646  0.483  0.518  1.0
  H  H5  1  0.354  0.517  0.018  1.0
  H  H6  1  0.483  0.354  0.768  1.0
  H  H7  1  0.517  0.646  0.268  1.0
  H  H8  1  0.896  0.315  0.697  1.0
  H  H9  1  0.104  0.685  0.197  1.0
  H  H10  1  0.315  0.104  0.947  1.0
  H  H11  1  0.685  0.896  0.447  1.0
  H  H12  1  0.964  0.115  0.657  1.0
  H  H13  1  0.036  0.885  0.157  1.0
  H  H14  1  0.115  0.036  0.907  1.0
  H  H15  1  0.885  0.964  0.407  1.0
  C  C16  1  0.642  0.396  0.441  1.0
  C  C17  1  0.358  0.604  0.941  1.0
  C  C18  1  0.396  0.358  0.691  1.0
  C  C19  1  0.604  0.642  0.191  1.0
  S  S20  1  0.112  0.259  0.173  1.0
  S  S21  1  0.888  0.741  0.673  1.0
  S  S22  1  0.259  0.888  0.423  1.0
  S  S23  1  0.741  0.112  0.923  1.0
  O  O24  1  0.290  0.162  0.139  1.0
  O  O25  1  0.710  0.838  0.639  1.0
  O  O26  1  0.162  0.710  0.389  1.0
  O  O27  1  0.838  0.290  0.889  1.0
  O  O28  1  0.144  0.377  0.273  1.0
  O  O29  1  0.856  0.623  0.773  1.0
  O  O30  1  0.377  0.856  0.523  1.0
  O  O31  1  0.623  0.144  0.023  1.0
  O  O32  1  0.049  0.381  0.079  1.0
  O  O33  1  0.951  0.619  0.579  1.0
  O  O34  1  0.381  0.951  0.329  1.0
  O  O35  1  0.619  0.049  0.829  1.0
  O  O36  1  0.962  0.113  0.197  1.0
  O  O37  1  0.038  0.887  0.697  1.0
  O  O38  1  0.113  0.038  0.447  1.0
  O  O39  1  0.887  0.962  0.947  1.0
  O  O40  1  0.481  0.345  0.402  1.0
  O  O41  1  0.519  0.655  0.902  1.0
  O  O42  1  0.345  0.519  0.652  1.0
  O  O43  1  0.655  0.481  0.152  1.0
  O  O44  1  0.797  0.352  0.393  1.0
  O  O45  1  0.203  0.648  0.893  1.0
  O  O46  1  0.352  0.203  0.643  1.0
  O  O47  1  0.648  0.797  0.143  1.0
  O  O48  1  0.934  0.245  0.631  1.0
  O  O49  1  0.066  0.755  0.131  1.0
  O  O50  1  0.245  0.066  0.881  1.0
  O  O51  1  0.755  0.934  0.381  1.0
[/CIF]
.
The material structure described by CeCH3SO7 crystallizes in the tetragonal P4_3 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(4) and 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 3-coordinate geometry to one Ce(1), one H(3), 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 distorted single-bond 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   7.062
_cell_length_b   7.062
_cell_length_c   11.984
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   597.594
_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  0.133  0.392  0.478  1.0
  Ce  Ce1  1  0.867  0.608  0.978  1.0
  Ce  Ce2  1  0.392  0.867  0.728  1.0
  Ce  Ce3  1  0.608  0.133  0.228  1.0
  H  H4  1  0.646  0.483  0.518  1.0
  H  H5  1  0.354  0.517  0.018  1.0
  H  H6  1  0.483  0.354  0.768  1.0
  H  H7  1  0.517  0.646  0.268  1.0
  H  H8  1  0.896  0.315  0.697  1.0
  H  H9  1  0.104  0.685  0.197  1.0
  H  H10  1  0.315  0.104  0.947  1.0
  H  H11  1  0.685  0.896  0.447  1.0
  H  H12  1  0.964  0.115  0.657  1.0
  H  H13  1  0.036  0.885  0.157  1.0
  H  H14  1  0.115  0.036  0.907  1.0
  H  H15  1  0.885  0.964  0.407  1.0
  C  C16  1  0.642  0.396  0.441  1.0
  C  C17  1  0.358  0.604  0.941  1.0
  C  C18  1  0.396  0.358  0.691  1.0
  C  C19  1  0.604  0.642  0.191  1.0
  S  S20  1  0.112  0.259  0.173  1.0
  S  S21  1  0.888  0.741  0.673  1.0
  S  S22  1  0.259  0.888  0.423  1.0
  S  S23  1  0.741  0.112  0.923  1.0
  O  O24  1  0.290  0.162  0.139  1.0
  O  O25  1  0.710  0.838  0.639  1.0
  O  O26  1  0.162  0.710  0.389  1.0
  O  O27  1  0.838  0.290  0.889  1.0
  O  O28  1  0.144  0.377  0.273  1.0
  O  O29  1  0.856  0.623  0.773  1.0
  O  O30  1  0.377  0.856  0.523  1.0
  O  O31  1  0.623  0.144  0.023  1.0
  O  O32  1  0.049  0.381  0.079  1.0
  O  O33  1  0.951  0.619  0.579  1.0
  O  O34  1  0.381  0.951  0.329  1.0
  O  O35  1  0.619  0.049  0.829  1.0
  O  O36  1  0.962  0.113  0.197  1.0
  O  O37  1  0.038  0.887  0.697  1.0
  O  O38  1  0.113  0.038  0.447  1.0
  O  O39  1  0.887  0.962  0.947  1.0
  O  O40  1  0.481  0.345  0.402  1.0
  O  O41  1  0.519  0.655  0.902  1.0
  O  O42  1  0.345  0.519  0.652  1.0
  O  O43  1  0.655  0.481  0.152  1.0
  O  O44  1  0.797  0.352  0.393  1.0
  O  O45  1  0.203  0.648  0.893  1.0
  O  O46  1  0.352  0.203  0.643  1.0
  O  O47  1  0.648  0.797  0.143  1.0
  O  O48  1  0.934  0.245  0.631  1.0
  O  O49  1  0.066  0.755  0.131  1.0
  O  O50  1  0.245  0.066  0.881  1.0
  O  O51  1  0.755  0.934  0.381  1.0
[/CIF]
.