The crystal structure described by La2O2SO4 crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent La(1) and one S(1) atom. In the second O site, O(2) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent La(1) and one S(1) atom. is represented by the CIF card [CIF]
data_La2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.280
_cell_length_b   7.498
_cell_length_c   8.373
_cell_angle_alpha   106.340
_cell_angle_beta   90.000
_cell_angle_gamma   106.584
_symmetry_Int_Tables_number   1
_cell_volume   246.177
_cell_formula_units_Z   2
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  0.327  0.665  0.916  1.0
  La  La1  1  0.661  0.335  0.584  1.0
  La  La2  1  0.339  0.665  0.416  1.0
  La  La3  1  0.673  0.335  0.084  1.0
  S  S4  1  0.942  0.000  0.250  1.0
  S  S5  1  0.058  0.000  0.750  1.0
  O  O6  1  0.955  0.177  0.793  1.0
  O  O7  1  0.777  0.823  0.707  1.0
  O  O8  1  0.045  0.823  0.207  1.0
  O  O9  1  0.223  0.177  0.293  1.0
  O  O10  1  0.260  0.495  0.124  1.0
  O  O11  1  0.766  0.505  0.376  1.0
  O  O12  1  0.740  0.002  0.394  1.0
  O  O13  1  0.234  0.495  0.624  1.0
  O  O14  1  0.262  0.002  0.894  1.0
  O  O15  1  0.740  0.505  0.876  1.0
  O  O16  1  0.738  0.998  0.106  1.0
  O  O17  1  0.260  0.998  0.606  1.0
[/CIF]
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The crystal structure described by La2O2SO4 crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent La(1) and one S(1) atom. In the second O site, O(2) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent La(1) and one S(1) atom. is represented by the CIF card [CIF]
data_La2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.280
_cell_length_b   7.498
_cell_length_c   8.373
_cell_angle_alpha   106.340
_cell_angle_beta   90.000
_cell_angle_gamma   106.584
_symmetry_Int_Tables_number   1
_cell_volume   246.177
_cell_formula_units_Z   2
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  0.327  0.665  0.916  1.0
  La  La1  1  0.661  0.335  0.584  1.0
  La  La2  1  0.339  0.665  0.416  1.0
  La  La3  1  0.673  0.335  0.084  1.0
  S  S4  1  0.942  0.000  0.250  1.0
  S  S5  1  0.058  0.000  0.750  1.0
  O  O6  1  0.955  0.177  0.793  1.0
  O  O7  1  0.777  0.823  0.707  1.0
  O  O8  1  0.045  0.823  0.207  1.0
  O  O9  1  0.223  0.177  0.293  1.0
  O  O10  1  0.260  0.495  0.124  1.0
  O  O11  1  0.766  0.505  0.376  1.0
  O  O12  1  0.740  0.002  0.394  1.0
  O  O13  1  0.234  0.495  0.624  1.0
  O  O14  1  0.262  0.002  0.894  1.0
  O  O15  1  0.740  0.505  0.876  1.0
  O  O16  1  0.738  0.998  0.106  1.0
  O  O17  1  0.260  0.998  0.606  1.0
[/CIF]
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