The structure described by NdPS crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(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 Nd site, Nd(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 Nd(1), two equivalent Nd(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 Nd(2) and three equivalent Nd(1) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Nd(1) and three equivalent Nd(2) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. is represented by the CIF file [CIF]
data_NdPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.517
_cell_length_b   5.583
_cell_length_c   17.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   529.368
_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
  Nd  Nd0  1  0.250  0.483  0.362  1.0
  Nd  Nd1  1  0.250  0.983  0.138  1.0
  Nd  Nd2  1  0.750  0.517  0.638  1.0
  Nd  Nd3  1  0.750  0.017  0.862  1.0
  Nd  Nd4  1  0.250  0.016  0.648  1.0
  Nd  Nd5  1  0.250  0.516  0.852  1.0
  Nd  Nd6  1  0.750  0.984  0.352  1.0
  Nd  Nd7  1  0.750  0.484  0.148  1.0
  P  P8  1  0.046  0.306  0.997  1.0
  P  P9  1  0.454  0.806  0.503  1.0
  P  P10  1  0.546  0.694  0.003  1.0
  P  P11  1  0.954  0.194  0.497  1.0
  P  P12  1  0.954  0.694  0.003  1.0
  P  P13  1  0.546  0.194  0.497  1.0
  P  P14  1  0.454  0.306  0.997  1.0
  P  P15  1  0.046  0.806  0.503  1.0
  S  S16  1  0.250  0.485  0.189  1.0
  S  S17  1  0.250  0.985  0.311  1.0
  S  S18  1  0.750  0.515  0.811  1.0
  S  S19  1  0.750  0.015  0.689  1.0
  S  S20  1  0.250  0.012  0.817  1.0
  S  S21  1  0.250  0.512  0.683  1.0
  S  S22  1  0.750  0.988  0.183  1.0
  S  S23  1  0.750  0.488  0.317  1.0
[/CIF]
.
The structure described by NdPS crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(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 Nd site, Nd(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 Nd(1), two equivalent Nd(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 Nd(2) and three equivalent Nd(1) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Nd(1) and three equivalent Nd(2) atoms to form a mixture of distorted edge and corner-sharing SNd5 trigonal bipyramids. is represented by the CIF file [CIF]
data_NdPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.517
_cell_length_b   5.583
_cell_length_c   17.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   529.368
_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
  Nd  Nd0  1  0.250  0.483  0.362  1.0
  Nd  Nd1  1  0.250  0.983  0.138  1.0
  Nd  Nd2  1  0.750  0.517  0.638  1.0
  Nd  Nd3  1  0.750  0.017  0.862  1.0
  Nd  Nd4  1  0.250  0.016  0.648  1.0
  Nd  Nd5  1  0.250  0.516  0.852  1.0
  Nd  Nd6  1  0.750  0.984  0.352  1.0
  Nd  Nd7  1  0.750  0.484  0.148  1.0
  P  P8  1  0.046  0.306  0.997  1.0
  P  P9  1  0.454  0.806  0.503  1.0
  P  P10  1  0.546  0.694  0.003  1.0
  P  P11  1  0.954  0.194  0.497  1.0
  P  P12  1  0.954  0.694  0.003  1.0
  P  P13  1  0.546  0.194  0.497  1.0
  P  P14  1  0.454  0.306  0.997  1.0
  P  P15  1  0.046  0.806  0.503  1.0
  S  S16  1  0.250  0.485  0.189  1.0
  S  S17  1  0.250  0.985  0.311  1.0
  S  S18  1  0.750  0.515  0.811  1.0
  S  S19  1  0.750  0.015  0.689  1.0
  S  S20  1  0.250  0.012  0.817  1.0
  S  S21  1  0.250  0.512  0.683  1.0
  S  S22  1  0.750  0.988  0.183  1.0
  S  S23  1  0.750  0.488  0.317  1.0
[/CIF]
.