The material structure described by PrCH3SO7 crystallizes in the tetragonal P4_3 space group. Pr(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 Pr(1) and one S(1) atom. In the second O site, O(4) is bonded in a 1-coordinate geometry to one Pr(1) and one S(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one C(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one C(1) atom. In the fifth O site, O(7) is bonded in a water-like geometry to one Pr(1), one H(2), and one H(3) atom. In the sixth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the seventh O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrH3CSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.045
_cell_length_b   7.045
_cell_length_c   12.011
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   596.050
_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
  Pr  Pr0  1  0.131  0.385  0.479  1.0
  Pr  Pr1  1  0.869  0.615  0.979  1.0
  Pr  Pr2  1  0.385  0.869  0.729  1.0
  Pr  Pr3  1  0.615  0.131  0.229  1.0
  H  H4  1  0.640  0.480  0.515  1.0
  H  H5  1  0.360  0.520  0.015  1.0
  H  H6  1  0.480  0.360  0.765  1.0
  H  H7  1  0.520  0.640  0.265  1.0
  H  H8  1  0.896  0.325  0.696  1.0
  H  H9  1  0.104  0.675  0.196  1.0
  H  H10  1  0.325  0.104  0.946  1.0
  H  H11  1  0.675  0.896  0.446  1.0
  H  H12  1  0.959  0.117  0.661  1.0
  H  H13  1  0.041  0.883  0.161  1.0
  H  H14  1  0.117  0.041  0.911  1.0
  H  H15  1  0.883  0.959  0.411  1.0
  C  C16  1  0.635  0.391  0.440  1.0
  C  C17  1  0.365  0.609  0.940  1.0
  C  C18  1  0.391  0.365  0.690  1.0
  C  C19  1  0.609  0.635  0.190  1.0
  S  S20  1  0.113  0.265  0.173  1.0
  S  S21  1  0.887  0.735  0.673  1.0
  S  S22  1  0.265  0.887  0.423  1.0
  S  S23  1  0.735  0.113  0.923  1.0
  O  O24  1  0.295  0.169  0.147  1.0
  O  O25  1  0.705  0.831  0.647  1.0
  O  O26  1  0.169  0.705  0.397  1.0
  O  O27  1  0.831  0.295  0.897  1.0
  O  O28  1  0.133  0.389  0.272  1.0
  O  O29  1  0.867  0.611  0.772  1.0
  O  O30  1  0.389  0.867  0.522  1.0
  O  O31  1  0.611  0.133  0.022  1.0
  O  O32  1  0.060  0.382  0.076  1.0
  O  O33  1  0.940  0.618  0.576  1.0
  O  O34  1  0.382  0.940  0.326  1.0
  O  O35  1  0.618  0.060  0.826  1.0
  O  O36  1  0.962  0.118  0.193  1.0
  O  O37  1  0.038  0.882  0.693  1.0
  O  O38  1  0.118  0.038  0.443  1.0
  O  O39  1  0.882  0.962  0.943  1.0
  O  O40  1  0.474  0.340  0.401  1.0
  O  O41  1  0.526  0.660  0.901  1.0
  O  O42  1  0.340  0.526  0.651  1.0
  O  O43  1  0.660  0.474  0.151  1.0
  O  O44  1  0.791  0.345  0.393  1.0
  O  O45  1  0.209  0.655  0.893  1.0
  O  O46  1  0.345  0.209  0.643  1.0
  O  O47  1  0.655  0.791  0.143  1.0
  O  O48  1  0.929  0.245  0.632  1.0
  O  O49  1  0.071  0.755  0.132  1.0
  O  O50  1  0.245  0.071  0.882  1.0
  O  O51  1  0.755  0.929  0.382  1.0
[/CIF]
.
The material structure described by PrCH3SO7 crystallizes in the tetragonal P4_3 space group. Pr(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 Pr(1) and one S(1) atom. In the second O site, O(4) is bonded in a 1-coordinate geometry to one Pr(1) and one S(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one C(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Pr(1) and one C(1) atom. In the fifth O site, O(7) is bonded in a water-like geometry to one Pr(1), one H(2), and one H(3) atom. In the sixth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(1) atom. In the seventh O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrH3CSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.045
_cell_length_b   7.045
_cell_length_c   12.011
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   596.050
_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
  Pr  Pr0  1  0.131  0.385  0.479  1.0
  Pr  Pr1  1  0.869  0.615  0.979  1.0
  Pr  Pr2  1  0.385  0.869  0.729  1.0
  Pr  Pr3  1  0.615  0.131  0.229  1.0
  H  H4  1  0.640  0.480  0.515  1.0
  H  H5  1  0.360  0.520  0.015  1.0
  H  H6  1  0.480  0.360  0.765  1.0
  H  H7  1  0.520  0.640  0.265  1.0
  H  H8  1  0.896  0.325  0.696  1.0
  H  H9  1  0.104  0.675  0.196  1.0
  H  H10  1  0.325  0.104  0.946  1.0
  H  H11  1  0.675  0.896  0.446  1.0
  H  H12  1  0.959  0.117  0.661  1.0
  H  H13  1  0.041  0.883  0.161  1.0
  H  H14  1  0.117  0.041  0.911  1.0
  H  H15  1  0.883  0.959  0.411  1.0
  C  C16  1  0.635  0.391  0.440  1.0
  C  C17  1  0.365  0.609  0.940  1.0
  C  C18  1  0.391  0.365  0.690  1.0
  C  C19  1  0.609  0.635  0.190  1.0
  S  S20  1  0.113  0.265  0.173  1.0
  S  S21  1  0.887  0.735  0.673  1.0
  S  S22  1  0.265  0.887  0.423  1.0
  S  S23  1  0.735  0.113  0.923  1.0
  O  O24  1  0.295  0.169  0.147  1.0
  O  O25  1  0.705  0.831  0.647  1.0
  O  O26  1  0.169  0.705  0.397  1.0
  O  O27  1  0.831  0.295  0.897  1.0
  O  O28  1  0.133  0.389  0.272  1.0
  O  O29  1  0.867  0.611  0.772  1.0
  O  O30  1  0.389  0.867  0.522  1.0
  O  O31  1  0.611  0.133  0.022  1.0
  O  O32  1  0.060  0.382  0.076  1.0
  O  O33  1  0.940  0.618  0.576  1.0
  O  O34  1  0.382  0.940  0.326  1.0
  O  O35  1  0.618  0.060  0.826  1.0
  O  O36  1  0.962  0.118  0.193  1.0
  O  O37  1  0.038  0.882  0.693  1.0
  O  O38  1  0.118  0.038  0.443  1.0
  O  O39  1  0.882  0.962  0.943  1.0
  O  O40  1  0.474  0.340  0.401  1.0
  O  O41  1  0.526  0.660  0.901  1.0
  O  O42  1  0.340  0.526  0.651  1.0
  O  O43  1  0.660  0.474  0.151  1.0
  O  O44  1  0.791  0.345  0.393  1.0
  O  O45  1  0.209  0.655  0.893  1.0
  O  O46  1  0.345  0.209  0.643  1.0
  O  O47  1  0.655  0.791  0.143  1.0
  O  O48  1  0.929  0.245  0.632  1.0
  O  O49  1  0.071  0.755  0.132  1.0
  O  O50  1  0.245  0.071  0.882  1.0
  O  O51  1  0.755  0.929  0.382  1.0
[/CIF]
.