The crystal structure described by LaPS crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(2), and three equivalent S(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(1), and three equivalent S(2) atoms. P(1) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent P(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent La(2) and three equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent La(1) and three equivalent La(2) atoms to form a mixture of corner and edge-sharing SLa5 trigonal bipyramids. is represented by the CIF file [CIF]
data_LaPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   5.733
_cell_length_c   17.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   559.556
_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  0.250  0.484  0.362  1.0
  La  La1  1  0.250  0.984  0.138  1.0
  La  La2  1  0.750  0.516  0.638  1.0
  La  La3  1  0.750  0.016  0.862  1.0
  La  La4  1  0.250  0.017  0.650  1.0
  La  La5  1  0.250  0.517  0.850  1.0
  La  La6  1  0.750  0.983  0.350  1.0
  La  La7  1  0.750  0.483  0.150  1.0
  P  P8  1  0.050  0.313  0.997  1.0
  P  P9  1  0.450  0.813  0.503  1.0
  P  P10  1  0.550  0.687  0.003  1.0
  P  P11  1  0.950  0.187  0.497  1.0
  P  P12  1  0.950  0.687  0.003  1.0
  P  P13  1  0.550  0.187  0.497  1.0
  P  P14  1  0.450  0.313  0.997  1.0
  P  P15  1  0.050  0.813  0.503  1.0
  S  S16  1  0.250  0.486  0.189  1.0
  S  S17  1  0.250  0.986  0.311  1.0
  S  S18  1  0.750  0.514  0.811  1.0
  S  S19  1  0.750  0.014  0.689  1.0
  S  S20  1  0.250  0.013  0.820  1.0
  S  S21  1  0.250  0.513  0.680  1.0
  S  S22  1  0.750  0.987  0.180  1.0
  S  S23  1  0.750  0.487  0.320  1.0
[/CIF]
.
The crystal structure described by LaPS crystallizes in the orthorhombic Pnma space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(2), and three equivalent S(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to four equivalent P(1), two equivalent S(1), and three equivalent S(2) atoms. P(1) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent P(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent La(2) and three equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent La(1) and three equivalent La(2) atoms to form a mixture of corner and edge-sharing SLa5 trigonal bipyramids. is represented by the CIF file [CIF]
data_LaPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   5.733
_cell_length_c   17.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   559.556
_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  0.250  0.484  0.362  1.0
  La  La1  1  0.250  0.984  0.138  1.0
  La  La2  1  0.750  0.516  0.638  1.0
  La  La3  1  0.750  0.016  0.862  1.0
  La  La4  1  0.250  0.017  0.650  1.0
  La  La5  1  0.250  0.517  0.850  1.0
  La  La6  1  0.750  0.983  0.350  1.0
  La  La7  1  0.750  0.483  0.150  1.0
  P  P8  1  0.050  0.313  0.997  1.0
  P  P9  1  0.450  0.813  0.503  1.0
  P  P10  1  0.550  0.687  0.003  1.0
  P  P11  1  0.950  0.187  0.497  1.0
  P  P12  1  0.950  0.687  0.003  1.0
  P  P13  1  0.550  0.187  0.497  1.0
  P  P14  1  0.450  0.313  0.997  1.0
  P  P15  1  0.050  0.813  0.503  1.0
  S  S16  1  0.250  0.486  0.189  1.0
  S  S17  1  0.250  0.986  0.311  1.0
  S  S18  1  0.750  0.514  0.811  1.0
  S  S19  1  0.750  0.014  0.689  1.0
  S  S20  1  0.250  0.013  0.820  1.0
  S  S21  1  0.250  0.513  0.680  1.0
  S  S22  1  0.750  0.987  0.180  1.0
  S  S23  1  0.750  0.487  0.320  1.0
[/CIF]
.