The crystal structure described by La5S8 crystallizes in the tetragonal I-4 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted edge, face, and corner-sharing LaS8 hexagonal bipyramids. In the second La site, La(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted face and corner-sharing LaS8 hexagonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded to one La(2) and four equivalent La(1) atoms to form a mixture of edge, face, and corner-sharing SLa5 square pyramids. In the second S site, S(2) is bonded to one La(2) and four equivalent La(1) atoms to form a mixture of edge, face, and corner-sharing SLa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_La5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.576
_cell_length_b   7.576
_cell_length_c   7.576
_cell_angle_alpha   109.431
_cell_angle_beta   109.431
_cell_angle_gamma   109.551
_symmetry_Int_Tables_number   1
_cell_volume   334.687
_cell_formula_units_Z   1
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  0.631  0.015  0.880  1.0
  La  La1  1  0.500  0.500  0.000  1.0
  La  La2  1  0.135  0.751  0.120  1.0
  La  La3  1  0.249  0.369  0.384  1.0
  La  La4  1  0.985  0.865  0.616  1.0
  S  S5  1  0.882  0.483  0.238  1.0
  S  S6  1  0.872  0.958  0.231  1.0
  S  S7  1  0.359  0.128  0.085  1.0
  S  S8  1  0.727  0.641  0.769  1.0
  S  S9  1  0.517  0.755  0.399  1.0
  S  S10  1  0.245  0.644  0.762  1.0
  S  S11  1  0.356  0.118  0.601  1.0
  S  S12  1  0.042  0.273  0.915  1.0
[/CIF]
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The crystal structure described by La5S8 crystallizes in the tetragonal I-4 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted edge, face, and corner-sharing LaS8 hexagonal bipyramids. In the second La site, La(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted face and corner-sharing LaS8 hexagonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded to one La(2) and four equivalent La(1) atoms to form a mixture of edge, face, and corner-sharing SLa5 square pyramids. In the second S site, S(2) is bonded to one La(2) and four equivalent La(1) atoms to form a mixture of edge, face, and corner-sharing SLa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_La5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.576
_cell_length_b   7.576
_cell_length_c   7.576
_cell_angle_alpha   109.431
_cell_angle_beta   109.431
_cell_angle_gamma   109.551
_symmetry_Int_Tables_number   1
_cell_volume   334.687
_cell_formula_units_Z   1
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  0.631  0.015  0.880  1.0
  La  La1  1  0.500  0.500  0.000  1.0
  La  La2  1  0.135  0.751  0.120  1.0
  La  La3  1  0.249  0.369  0.384  1.0
  La  La4  1  0.985  0.865  0.616  1.0
  S  S5  1  0.882  0.483  0.238  1.0
  S  S6  1  0.872  0.958  0.231  1.0
  S  S7  1  0.359  0.128  0.085  1.0
  S  S8  1  0.727  0.641  0.769  1.0
  S  S9  1  0.517  0.755  0.399  1.0
  S  S10  1  0.245  0.644  0.762  1.0
  S  S11  1  0.356  0.118  0.601  1.0
  S  S12  1  0.042  0.273  0.915  1.0
[/CIF]
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