The material described by LaCH3SO7 crystallizes in the tetragonal P4_3 space group. La(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms. C(1) is bonded in a trigonal planar geometry to one H(1), one O(3), 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(4), and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to two equivalent La(1) and one C(1) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one La(1) and one S(1) atom. In the third O site, O(5) is bonded in a distorted bent 150 degrees geometry to one La(1) and one S(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent La(1) and one C(1) atom. In the fifth O site, O(7) is bonded in a water-like geometry to one La(1), one H(2), and one H(3) atom. In the sixth O site, O(1) is bonded in a distorted linear geometry to one La(1) and one S(1) atom. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one La(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaH3CSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.108
_cell_length_b   7.108
_cell_length_c   11.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   606.054
_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
  La  La0  1  0.393  0.860  0.507  1.0
  La  La1  1  0.607  0.140  0.007  1.0
  La  La2  1  0.860  0.607  0.757  1.0
  La  La3  1  0.140  0.393  0.257  1.0
  H  H4  1  0.468  0.336  0.552  1.0
  H  H5  1  0.532  0.664  0.052  1.0
  H  H6  1  0.336  0.532  0.802  1.0
  H  H7  1  0.664  0.468  0.302  1.0
  H  H8  1  0.122  0.038  0.689  1.0
  H  H9  1  0.878  0.962  0.189  1.0
  H  H10  1  0.038  0.878  0.939  1.0
  H  H11  1  0.962  0.122  0.439  1.0
  H  H12  1  0.323  0.092  0.733  1.0
  H  H13  1  0.677  0.908  0.233  1.0
  H  H14  1  0.092  0.677  0.983  1.0
  H  H15  1  0.908  0.323  0.483  1.0
  C  C16  1  0.396  0.346  0.471  1.0
  C  C17  1  0.604  0.654  0.971  1.0
  C  C18  1  0.346  0.604  0.721  1.0
  C  C19  1  0.654  0.396  0.221  1.0
  S  S20  1  0.253  0.887  0.202  1.0
  S  S21  1  0.747  0.113  0.702  1.0
  S  S22  1  0.887  0.747  0.452  1.0
  S  S23  1  0.113  0.253  0.952  1.0
  O  O24  1  0.378  0.958  0.112  1.0
  O  O25  1  0.622  0.042  0.612  1.0
  O  O26  1  0.958  0.622  0.362  1.0
  O  O27  1  0.042  0.378  0.862  1.0
  O  O28  1  0.114  0.038  0.230  1.0
  O  O29  1  0.886  0.962  0.730  1.0
  O  O30  1  0.038  0.886  0.480  1.0
  O  O31  1  0.962  0.114  0.980  1.0
  O  O32  1  0.358  0.195  0.419  1.0
  O  O33  1  0.642  0.805  0.919  1.0
  O  O34  1  0.195  0.642  0.669  1.0
  O  O35  1  0.805  0.358  0.169  1.0
  O  O36  1  0.717  0.846  0.411  1.0
  O  O37  1  0.283  0.154  0.911  1.0
  O  O38  1  0.846  0.283  0.661  1.0
  O  O39  1  0.154  0.717  0.161  1.0
  O  O40  1  0.367  0.837  0.301  1.0
  O  O41  1  0.633  0.163  0.801  1.0
  O  O42  1  0.837  0.633  0.551  1.0
  O  O43  1  0.163  0.367  0.051  1.0
  O  O44  1  0.354  0.508  0.432  1.0
  O  O45  1  0.646  0.492  0.932  1.0
  O  O46  1  0.508  0.646  0.682  1.0
  O  O47  1  0.492  0.354  0.182  1.0
  O  O48  1  0.253  0.056  0.666  1.0
  O  O49  1  0.747  0.944  0.166  1.0
  O  O50  1  0.056  0.747  0.916  1.0
  O  O51  1  0.944  0.253  0.416  1.0
[/CIF]
.
The material described by LaCH3SO7 crystallizes in the tetragonal P4_3 space group. La(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms. C(1) is bonded in a trigonal planar geometry to one H(1), one O(3), 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(4), and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to two equivalent La(1) and one C(1) atom. In the second O site, O(4) is bonded in a distorted bent 120 degrees geometry to one La(1) and one S(1) atom. In the third O site, O(5) is bonded in a distorted bent 150 degrees geometry to one La(1) and one S(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent La(1) and one C(1) atom. In the fifth O site, O(7) is bonded in a water-like geometry to one La(1), one H(2), and one H(3) atom. In the sixth O site, O(1) is bonded in a distorted linear geometry to one La(1) and one S(1) atom. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one La(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaH3CSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.108
_cell_length_b   7.108
_cell_length_c   11.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   606.054
_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
  La  La0  1  0.393  0.860  0.507  1.0
  La  La1  1  0.607  0.140  0.007  1.0
  La  La2  1  0.860  0.607  0.757  1.0
  La  La3  1  0.140  0.393  0.257  1.0
  H  H4  1  0.468  0.336  0.552  1.0
  H  H5  1  0.532  0.664  0.052  1.0
  H  H6  1  0.336  0.532  0.802  1.0
  H  H7  1  0.664  0.468  0.302  1.0
  H  H8  1  0.122  0.038  0.689  1.0
  H  H9  1  0.878  0.962  0.189  1.0
  H  H10  1  0.038  0.878  0.939  1.0
  H  H11  1  0.962  0.122  0.439  1.0
  H  H12  1  0.323  0.092  0.733  1.0
  H  H13  1  0.677  0.908  0.233  1.0
  H  H14  1  0.092  0.677  0.983  1.0
  H  H15  1  0.908  0.323  0.483  1.0
  C  C16  1  0.396  0.346  0.471  1.0
  C  C17  1  0.604  0.654  0.971  1.0
  C  C18  1  0.346  0.604  0.721  1.0
  C  C19  1  0.654  0.396  0.221  1.0
  S  S20  1  0.253  0.887  0.202  1.0
  S  S21  1  0.747  0.113  0.702  1.0
  S  S22  1  0.887  0.747  0.452  1.0
  S  S23  1  0.113  0.253  0.952  1.0
  O  O24  1  0.378  0.958  0.112  1.0
  O  O25  1  0.622  0.042  0.612  1.0
  O  O26  1  0.958  0.622  0.362  1.0
  O  O27  1  0.042  0.378  0.862  1.0
  O  O28  1  0.114  0.038  0.230  1.0
  O  O29  1  0.886  0.962  0.730  1.0
  O  O30  1  0.038  0.886  0.480  1.0
  O  O31  1  0.962  0.114  0.980  1.0
  O  O32  1  0.358  0.195  0.419  1.0
  O  O33  1  0.642  0.805  0.919  1.0
  O  O34  1  0.195  0.642  0.669  1.0
  O  O35  1  0.805  0.358  0.169  1.0
  O  O36  1  0.717  0.846  0.411  1.0
  O  O37  1  0.283  0.154  0.911  1.0
  O  O38  1  0.846  0.283  0.661  1.0
  O  O39  1  0.154  0.717  0.161  1.0
  O  O40  1  0.367  0.837  0.301  1.0
  O  O41  1  0.633  0.163  0.801  1.0
  O  O42  1  0.837  0.633  0.551  1.0
  O  O43  1  0.163  0.367  0.051  1.0
  O  O44  1  0.354  0.508  0.432  1.0
  O  O45  1  0.646  0.492  0.932  1.0
  O  O46  1  0.508  0.646  0.682  1.0
  O  O47  1  0.492  0.354  0.182  1.0
  O  O48  1  0.253  0.056  0.666  1.0
  O  O49  1  0.747  0.944  0.166  1.0
  O  O50  1  0.056  0.747  0.916  1.0
  O  O51  1  0.944  0.253  0.416  1.0
[/CIF]
.