The material structure described by LaS2 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(2), and four equivalent S(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one S(2) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one S(1) atom. In the third S site, S(3) is bonded to one La(1) and four equivalent La(2) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one La(2) and four equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_LaS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.158
_cell_length_b   8.172
_cell_length_c   16.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.921
_cell_formula_units_Z   8
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  0.281  0.639  0.142  1.0
  La  La1  1  0.719  0.361  0.642  1.0
  La  La2  1  0.781  0.861  0.642  1.0
  La  La3  1  0.219  0.139  0.142  1.0
  La  La4  1  0.781  0.871  0.364  1.0
  La  La5  1  0.219  0.129  0.864  1.0
  La  La6  1  0.281  0.629  0.864  1.0
  La  La7  1  0.719  0.371  0.364  1.0
  S  S8  1  0.356  0.897  0.003  1.0
  S  S9  1  0.644  0.103  0.503  1.0
  S  S10  1  0.856  0.603  0.503  1.0
  S  S11  1  0.144  0.397  0.003  1.0
  S  S12  1  0.838  0.604  0.003  1.0
  S  S13  1  0.162  0.396  0.503  1.0
  S  S14  1  0.338  0.896  0.503  1.0
  S  S15  1  0.662  0.104  0.003  1.0
  S  S16  1  0.260  0.628  0.320  1.0
  S  S17  1  0.740  0.372  0.820  1.0
  S  S18  1  0.760  0.872  0.820  1.0
  S  S19  1  0.240  0.128  0.320  1.0
  S  S20  1  0.763  0.883  0.186  1.0
  S  S21  1  0.237  0.117  0.686  1.0
  S  S22  1  0.263  0.617  0.686  1.0
  S  S23  1  0.737  0.383  0.186  1.0
[/CIF]
.
The material structure described by LaS2 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one S(3), two equivalent S(1), two equivalent S(2), and four equivalent S(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one S(2) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one S(1) atom. In the third S site, S(3) is bonded to one La(1) and four equivalent La(2) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the fourth S site, S(4) is bonded to one La(2) and four equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_LaS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.158
_cell_length_b   8.172
_cell_length_c   16.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.921
_cell_formula_units_Z   8
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  0.281  0.639  0.142  1.0
  La  La1  1  0.719  0.361  0.642  1.0
  La  La2  1  0.781  0.861  0.642  1.0
  La  La3  1  0.219  0.139  0.142  1.0
  La  La4  1  0.781  0.871  0.364  1.0
  La  La5  1  0.219  0.129  0.864  1.0
  La  La6  1  0.281  0.629  0.864  1.0
  La  La7  1  0.719  0.371  0.364  1.0
  S  S8  1  0.356  0.897  0.003  1.0
  S  S9  1  0.644  0.103  0.503  1.0
  S  S10  1  0.856  0.603  0.503  1.0
  S  S11  1  0.144  0.397  0.003  1.0
  S  S12  1  0.838  0.604  0.003  1.0
  S  S13  1  0.162  0.396  0.503  1.0
  S  S14  1  0.338  0.896  0.503  1.0
  S  S15  1  0.662  0.104  0.003  1.0
  S  S16  1  0.260  0.628  0.320  1.0
  S  S17  1  0.740  0.372  0.820  1.0
  S  S18  1  0.760  0.872  0.820  1.0
  S  S19  1  0.240  0.128  0.320  1.0
  S  S20  1  0.763  0.883  0.186  1.0
  S  S21  1  0.237  0.117  0.686  1.0
  S  S22  1  0.263  0.617  0.686  1.0
  S  S23  1  0.737  0.383  0.186  1.0
[/CIF]
.