The material structure described by LaCH3SO7 crystallizes in the tetragonal P4_1 space group. La(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 linear geometry to one La(1) and one S(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 single-bond geometry to two equivalent La(1) and one C(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 bent 150 degrees 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 CIF card [CIF]
data_LaH3CSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.101
_cell_length_b   7.101
_cell_length_c   12.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   607.276
_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  0.106  0.639  0.908  1.0
  La  La1  1  0.894  0.361  0.408  1.0
  La  La2  1  0.639  0.894  0.658  1.0
  La  La3  1  0.361  0.106  0.158  1.0
  H  H4  1  0.019  0.156  0.867  1.0
  H  H5  1  0.981  0.844  0.367  1.0
  H  H6  1  0.156  0.981  0.617  1.0
  H  H7  1  0.844  0.019  0.117  1.0
  H  H8  1  0.173  0.406  0.687  1.0
  H  H9  1  0.827  0.594  0.187  1.0
  H  H10  1  0.406  0.827  0.437  1.0
  H  H11  1  0.594  0.173  0.937  1.0
  H  H12  1  0.377  0.455  0.730  1.0
  H  H13  1  0.623  0.545  0.230  1.0
  H  H14  1  0.455  0.623  0.480  1.0
  H  H15  1  0.545  0.377  0.980  1.0
  C  C16  1  0.100  0.151  0.944  1.0
  C  C17  1  0.900  0.849  0.444  1.0
  C  C18  1  0.151  0.900  0.694  1.0
  C  C19  1  0.849  0.100  0.194  1.0
  S  S20  1  0.753  0.388  0.712  1.0
  S  S21  1  0.247  0.612  0.212  1.0
  S  S22  1  0.388  0.247  0.462  1.0
  S  S23  1  0.612  0.753  0.962  1.0
  O  O24  1  0.869  0.339  0.613  1.0
  O  O25  1  0.131  0.661  0.113  1.0
  O  O26  1  0.339  0.131  0.363  1.0
  O  O27  1  0.661  0.869  0.863  1.0
  O  O28  1  0.613  0.538  0.684  1.0
  O  O29  1  0.387  0.462  0.184  1.0
  O  O30  1  0.538  0.387  0.434  1.0
  O  O31  1  0.462  0.613  0.934  1.0
  O  O32  1  0.878  0.457  0.802  1.0
  O  O33  1  0.122  0.543  0.302  1.0
  O  O34  1  0.457  0.122  0.552  1.0
  O  O35  1  0.543  0.878  0.052  1.0
  O  O36  1  0.654  0.216  0.752  1.0
  O  O37  1  0.346  0.784  0.252  1.0
  O  O38  1  0.216  0.346  0.502  1.0
  O  O39  1  0.784  0.654  0.002  1.0
  O  O40  1  0.141  0.304  0.994  1.0
  O  O41  1  0.859  0.696  0.494  1.0
  O  O42  1  0.304  0.859  0.744  1.0
  O  O43  1  0.696  0.141  0.244  1.0
  O  O44  1  0.148  0.990  0.983  1.0
  O  O45  1  0.852  0.010  0.483  1.0
  O  O46  1  0.990  0.852  0.733  1.0
  O  O47  1  0.010  0.148  0.233  1.0
  O  O48  1  0.245  0.441  0.753  1.0
  O  O49  1  0.755  0.559  0.253  1.0
  O  O50  1  0.441  0.755  0.503  1.0
  O  O51  1  0.559  0.245  0.003  1.0
[/CIF]
.
The material structure described by LaCH3SO7 crystallizes in the tetragonal P4_1 space group. La(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 linear geometry to one La(1) and one S(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 single-bond geometry to two equivalent La(1) and one C(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 bent 150 degrees 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 CIF card [CIF]
data_LaH3CSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.101
_cell_length_b   7.101
_cell_length_c   12.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   607.276
_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  0.106  0.639  0.908  1.0
  La  La1  1  0.894  0.361  0.408  1.0
  La  La2  1  0.639  0.894  0.658  1.0
  La  La3  1  0.361  0.106  0.158  1.0
  H  H4  1  0.019  0.156  0.867  1.0
  H  H5  1  0.981  0.844  0.367  1.0
  H  H6  1  0.156  0.981  0.617  1.0
  H  H7  1  0.844  0.019  0.117  1.0
  H  H8  1  0.173  0.406  0.687  1.0
  H  H9  1  0.827  0.594  0.187  1.0
  H  H10  1  0.406  0.827  0.437  1.0
  H  H11  1  0.594  0.173  0.937  1.0
  H  H12  1  0.377  0.455  0.730  1.0
  H  H13  1  0.623  0.545  0.230  1.0
  H  H14  1  0.455  0.623  0.480  1.0
  H  H15  1  0.545  0.377  0.980  1.0
  C  C16  1  0.100  0.151  0.944  1.0
  C  C17  1  0.900  0.849  0.444  1.0
  C  C18  1  0.151  0.900  0.694  1.0
  C  C19  1  0.849  0.100  0.194  1.0
  S  S20  1  0.753  0.388  0.712  1.0
  S  S21  1  0.247  0.612  0.212  1.0
  S  S22  1  0.388  0.247  0.462  1.0
  S  S23  1  0.612  0.753  0.962  1.0
  O  O24  1  0.869  0.339  0.613  1.0
  O  O25  1  0.131  0.661  0.113  1.0
  O  O26  1  0.339  0.131  0.363  1.0
  O  O27  1  0.661  0.869  0.863  1.0
  O  O28  1  0.613  0.538  0.684  1.0
  O  O29  1  0.387  0.462  0.184  1.0
  O  O30  1  0.538  0.387  0.434  1.0
  O  O31  1  0.462  0.613  0.934  1.0
  O  O32  1  0.878  0.457  0.802  1.0
  O  O33  1  0.122  0.543  0.302  1.0
  O  O34  1  0.457  0.122  0.552  1.0
  O  O35  1  0.543  0.878  0.052  1.0
  O  O36  1  0.654  0.216  0.752  1.0
  O  O37  1  0.346  0.784  0.252  1.0
  O  O38  1  0.216  0.346  0.502  1.0
  O  O39  1  0.784  0.654  0.002  1.0
  O  O40  1  0.141  0.304  0.994  1.0
  O  O41  1  0.859  0.696  0.494  1.0
  O  O42  1  0.304  0.859  0.744  1.0
  O  O43  1  0.696  0.141  0.244  1.0
  O  O44  1  0.148  0.990  0.983  1.0
  O  O45  1  0.852  0.010  0.483  1.0
  O  O46  1  0.990  0.852  0.733  1.0
  O  O47  1  0.010  0.148  0.233  1.0
  O  O48  1  0.245  0.441  0.753  1.0
  O  O49  1  0.755  0.559  0.253  1.0
  O  O50  1  0.441  0.755  0.503  1.0
  O  O51  1  0.559  0.245  0.003  1.0
[/CIF]
.