The material structure described by LaS2 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), and five equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to five equivalent La(1) atoms to form distorted SLa5 trigonal bipyramids that share corners with four equivalent S(1)La5 trigonal bipyramids, corners with six equivalent S(2)La4S trigonal bipyramids, corners with six equivalent S(3)La4S trigonal bipyramids, edges with two equivalent S(2)La4S trigonal bipyramids, edges with two equivalent S(3)La4S trigonal bipyramids, and edges with eight equivalent S(1)La5 trigonal bipyramids. In the second S site, S(3) is bonded to four equivalent La(1) and one S(2) atom to form distorted SLa4S trigonal bipyramids that share corners with twelve equivalent S(1)La5 trigonal bipyramids, edges with two equivalent S(3)La4S trigonal bipyramids, edges with four equivalent S(2)La4S trigonal bipyramids, and edges with four equivalent S(1)La5 trigonal bipyramids. In the third S site, S(2) is bonded to four equivalent La(1) and one S(3) atom to form distorted SLa4S trigonal bipyramids that share corners with twelve equivalent S(1)La5 trigonal bipyramids, edges with two equivalent S(2)La4S trigonal bipyramids, edges with four equivalent S(3)La4S trigonal bipyramids, and edges with four equivalent S(1)La5 trigonal bipyramids. is represented by the CIF card [CIF]
data_LaS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.159
_cell_length_b   8.177
_cell_length_c   16.405
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.966
_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  0.218  0.130  0.388  1.0
  La  La1  1  0.718  0.370  0.612  1.0
  La  La2  1  0.282  0.630  0.112  1.0
  La  La3  1  0.782  0.870  0.888  1.0
  La  La4  1  0.782  0.870  0.612  1.0
  La  La5  1  0.282  0.630  0.388  1.0
  La  La6  1  0.718  0.370  0.888  1.0
  La  La7  1  0.218  0.130  0.112  1.0
  S  S8  1  0.739  0.375  0.433  1.0
  S  S9  1  0.239  0.125  0.567  1.0
  S  S10  1  0.761  0.875  0.067  1.0
  S  S11  1  0.261  0.625  0.933  1.0
  S  S12  1  0.261  0.625  0.567  1.0
  S  S13  1  0.761  0.875  0.433  1.0
  S  S14  1  0.239  0.125  0.933  1.0
  S  S15  1  0.739  0.375  0.067  1.0
  S  S16  1  0.141  0.394  0.250  1.0
  S  S17  1  0.641  0.106  0.750  1.0
  S  S18  1  0.359  0.894  0.250  1.0
  S  S19  1  0.859  0.606  0.750  1.0
  S  S20  1  0.661  0.099  0.250  1.0
  S  S21  1  0.161  0.401  0.750  1.0
  S  S22  1  0.839  0.599  0.250  1.0
  S  S23  1  0.339  0.901  0.750  1.0
[/CIF]
.
The material structure described by LaS2 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), and five equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to five equivalent La(1) atoms to form distorted SLa5 trigonal bipyramids that share corners with four equivalent S(1)La5 trigonal bipyramids, corners with six equivalent S(2)La4S trigonal bipyramids, corners with six equivalent S(3)La4S trigonal bipyramids, edges with two equivalent S(2)La4S trigonal bipyramids, edges with two equivalent S(3)La4S trigonal bipyramids, and edges with eight equivalent S(1)La5 trigonal bipyramids. In the second S site, S(3) is bonded to four equivalent La(1) and one S(2) atom to form distorted SLa4S trigonal bipyramids that share corners with twelve equivalent S(1)La5 trigonal bipyramids, edges with two equivalent S(3)La4S trigonal bipyramids, edges with four equivalent S(2)La4S trigonal bipyramids, and edges with four equivalent S(1)La5 trigonal bipyramids. In the third S site, S(2) is bonded to four equivalent La(1) and one S(3) atom to form distorted SLa4S trigonal bipyramids that share corners with twelve equivalent S(1)La5 trigonal bipyramids, edges with two equivalent S(2)La4S trigonal bipyramids, edges with four equivalent S(3)La4S trigonal bipyramids, and edges with four equivalent S(1)La5 trigonal bipyramids. is represented by the CIF card [CIF]
data_LaS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.159
_cell_length_b   8.177
_cell_length_c   16.405
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.966
_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  0.218  0.130  0.388  1.0
  La  La1  1  0.718  0.370  0.612  1.0
  La  La2  1  0.282  0.630  0.112  1.0
  La  La3  1  0.782  0.870  0.888  1.0
  La  La4  1  0.782  0.870  0.612  1.0
  La  La5  1  0.282  0.630  0.388  1.0
  La  La6  1  0.718  0.370  0.888  1.0
  La  La7  1  0.218  0.130  0.112  1.0
  S  S8  1  0.739  0.375  0.433  1.0
  S  S9  1  0.239  0.125  0.567  1.0
  S  S10  1  0.761  0.875  0.067  1.0
  S  S11  1  0.261  0.625  0.933  1.0
  S  S12  1  0.261  0.625  0.567  1.0
  S  S13  1  0.761  0.875  0.433  1.0
  S  S14  1  0.239  0.125  0.933  1.0
  S  S15  1  0.739  0.375  0.067  1.0
  S  S16  1  0.141  0.394  0.250  1.0
  S  S17  1  0.641  0.106  0.750  1.0
  S  S18  1  0.359  0.894  0.250  1.0
  S  S19  1  0.859  0.606  0.750  1.0
  S  S20  1  0.661  0.099  0.250  1.0
  S  S21  1  0.161  0.401  0.750  1.0
  S  S22  1  0.839  0.599  0.250  1.0
  S  S23  1  0.339  0.901  0.750  1.0
[/CIF]
.