The crystal structure described by La5S8 is beta indium sulfide-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form LaS6 octahedra that share corners with three equivalent La(2)S4 tetrahedra and edges with six equivalent La(1)S6 octahedra. In the second La site, La(2) is bonded to four equivalent S(1) atoms to form corner-sharing LaS4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent La(1) atoms. In the second S site, S(1) is bonded to one La(2) and three equivalent La(1) atoms to form a mixture of distorted edge and corner-sharing SLa4 trigonal pyramids. is represented by the CIF file [CIF]
data_La5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.578
_cell_length_b   8.578
_cell_length_c   8.578
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   446.343
_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  0.367  0.878  0.878  1.0
  La  La1  1  0.878  0.367  0.878  1.0
  La  La2  1  0.878  0.878  0.367  1.0
  La  La3  1  0.878  0.878  0.878  1.0
  La  La4  1  0.500  0.500  0.500  1.0
  S  S5  1  0.100  0.633  0.633  1.0
  S  S6  1  0.633  0.100  0.633  1.0
  S  S7  1  0.633  0.633  0.100  1.0
  S  S8  1  0.633  0.633  0.633  1.0
  S  S9  1  0.670  0.110  0.110  1.0
  S  S10  1  0.110  0.670  0.110  1.0
  S  S11  1  0.110  0.110  0.670  1.0
  S  S12  1  0.110  0.110  0.110  1.0
[/CIF]
.
The crystal structure described by La5S8 is beta indium sulfide-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form LaS6 octahedra that share corners with three equivalent La(2)S4 tetrahedra and edges with six equivalent La(1)S6 octahedra. In the second La site, La(2) is bonded to four equivalent S(1) atoms to form corner-sharing LaS4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent La(1) atoms. In the second S site, S(1) is bonded to one La(2) and three equivalent La(1) atoms to form a mixture of distorted edge and corner-sharing SLa4 trigonal pyramids. is represented by the CIF file [CIF]
data_La5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.578
_cell_length_b   8.578
_cell_length_c   8.578
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   446.343
_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  0.367  0.878  0.878  1.0
  La  La1  1  0.878  0.367  0.878  1.0
  La  La2  1  0.878  0.878  0.367  1.0
  La  La3  1  0.878  0.878  0.878  1.0
  La  La4  1  0.500  0.500  0.500  1.0
  S  S5  1  0.100  0.633  0.633  1.0
  S  S6  1  0.633  0.100  0.633  1.0
  S  S7  1  0.633  0.633  0.100  1.0
  S  S8  1  0.633  0.633  0.633  1.0
  S  S9  1  0.670  0.110  0.110  1.0
  S  S10  1  0.110  0.670  0.110  1.0
  S  S11  1  0.110  0.110  0.670  1.0
  S  S12  1  0.110  0.110  0.110  1.0
[/CIF]
.