The crystal structure described by GdPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted GdS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form PS4 tetrahedra that share edges with two equivalent Gd(1)S8 hexagonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Gd(1), one Gd(2), and one P(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one P(1) atom. is represented by the CIF file [CIF]
data_GdPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.251
_cell_length_b   12.251
_cell_length_c   12.251
_cell_angle_alpha   127.687
_cell_angle_beta   127.687
_cell_angle_gamma   77.132
_symmetry_Int_Tables_number   1
_cell_volume   1117.367
_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
  Gd  Gd0  1  0.250  0.250  0.000  1.0
  Gd  Gd1  1  0.750  0.750  0.000  1.0
  Gd  Gd2  1  0.500  1.000  0.500  1.0
  Gd  Gd3  1  0.000  0.500  0.500  1.0
  Gd  Gd4  1  0.000  0.000  0.000  1.0
  Gd  Gd5  1  0.500  0.500  0.000  1.0
  Gd  Gd6  1  0.250  0.750  0.500  1.0
  Gd  Gd7  1  0.750  0.250  0.500  1.0
  P  P8  1  0.163  0.875  0.788  1.0
  P  P9  1  0.663  0.875  0.288  1.0
  P  P10  1  0.125  0.913  0.288  1.0
  P  P11  1  0.625  0.337  0.212  1.0
  P  P12  1  0.587  0.375  0.712  1.0
  P  P13  1  0.087  0.375  0.212  1.0
  P  P14  1  0.125  0.413  0.788  1.0
  P  P15  1  0.625  0.837  0.712  1.0
  S  S16  1  0.540  0.354  0.320  1.0
  S  S17  1  0.040  0.720  0.187  1.0
  S  S18  1  0.604  0.290  0.820  1.0
  S  S19  1  0.104  0.283  0.313  1.0
  S  S20  1  0.210  0.896  0.180  1.0
  S  S21  1  0.710  0.530  0.313  1.0
  S  S22  1  0.146  0.960  0.680  1.0
  S  S23  1  0.646  0.967  0.187  1.0
  S  S24  1  0.533  0.854  0.813  1.0
  S  S25  1  0.033  0.220  0.680  1.0
  S  S26  1  0.970  0.790  0.687  1.0
  S  S27  1  0.470  0.783  0.180  1.0
  S  S28  1  0.217  0.396  0.687  1.0
  S  S29  1  0.717  0.030  0.820  1.0
  S  S30  1  0.780  0.460  0.813  1.0
  S  S31  1  0.280  0.467  0.320  1.0
  S  S32  1  0.462  0.235  0.953  1.0
  S  S33  1  0.962  0.009  0.227  1.0
  S  S34  1  0.485  0.212  0.453  1.0
  S  S35  1  0.985  0.532  0.273  1.0
  S  S36  1  0.288  0.015  0.547  1.0
  S  S37  1  0.788  0.241  0.273  1.0
  S  S38  1  0.265  0.038  0.047  1.0
  S  S39  1  0.765  0.718  0.227  1.0
  S  S40  1  0.782  0.735  0.773  1.0
  S  S41  1  0.282  0.509  0.047  1.0
  S  S42  1  0.259  0.712  0.727  1.0
  S  S43  1  0.759  0.032  0.547  1.0
  S  S44  1  0.968  0.515  0.727  1.0
  S  S45  1  0.468  0.741  0.453  1.0
  S  S46  1  0.491  0.538  0.773  1.0
  S  S47  1  0.991  0.218  0.953  1.0
[/CIF]
.
The crystal structure described by GdPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted GdS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form PS4 tetrahedra that share edges with two equivalent Gd(1)S8 hexagonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Gd(1), one Gd(2), and one P(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one P(1) atom. is represented by the CIF file [CIF]
data_GdPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.251
_cell_length_b   12.251
_cell_length_c   12.251
_cell_angle_alpha   127.687
_cell_angle_beta   127.687
_cell_angle_gamma   77.132
_symmetry_Int_Tables_number   1
_cell_volume   1117.367
_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
  Gd  Gd0  1  0.250  0.250  0.000  1.0
  Gd  Gd1  1  0.750  0.750  0.000  1.0
  Gd  Gd2  1  0.500  1.000  0.500  1.0
  Gd  Gd3  1  0.000  0.500  0.500  1.0
  Gd  Gd4  1  0.000  0.000  0.000  1.0
  Gd  Gd5  1  0.500  0.500  0.000  1.0
  Gd  Gd6  1  0.250  0.750  0.500  1.0
  Gd  Gd7  1  0.750  0.250  0.500  1.0
  P  P8  1  0.163  0.875  0.788  1.0
  P  P9  1  0.663  0.875  0.288  1.0
  P  P10  1  0.125  0.913  0.288  1.0
  P  P11  1  0.625  0.337  0.212  1.0
  P  P12  1  0.587  0.375  0.712  1.0
  P  P13  1  0.087  0.375  0.212  1.0
  P  P14  1  0.125  0.413  0.788  1.0
  P  P15  1  0.625  0.837  0.712  1.0
  S  S16  1  0.540  0.354  0.320  1.0
  S  S17  1  0.040  0.720  0.187  1.0
  S  S18  1  0.604  0.290  0.820  1.0
  S  S19  1  0.104  0.283  0.313  1.0
  S  S20  1  0.210  0.896  0.180  1.0
  S  S21  1  0.710  0.530  0.313  1.0
  S  S22  1  0.146  0.960  0.680  1.0
  S  S23  1  0.646  0.967  0.187  1.0
  S  S24  1  0.533  0.854  0.813  1.0
  S  S25  1  0.033  0.220  0.680  1.0
  S  S26  1  0.970  0.790  0.687  1.0
  S  S27  1  0.470  0.783  0.180  1.0
  S  S28  1  0.217  0.396  0.687  1.0
  S  S29  1  0.717  0.030  0.820  1.0
  S  S30  1  0.780  0.460  0.813  1.0
  S  S31  1  0.280  0.467  0.320  1.0
  S  S32  1  0.462  0.235  0.953  1.0
  S  S33  1  0.962  0.009  0.227  1.0
  S  S34  1  0.485  0.212  0.453  1.0
  S  S35  1  0.985  0.532  0.273  1.0
  S  S36  1  0.288  0.015  0.547  1.0
  S  S37  1  0.788  0.241  0.273  1.0
  S  S38  1  0.265  0.038  0.047  1.0
  S  S39  1  0.765  0.718  0.227  1.0
  S  S40  1  0.782  0.735  0.773  1.0
  S  S41  1  0.282  0.509  0.047  1.0
  S  S42  1  0.259  0.712  0.727  1.0
  S  S43  1  0.759  0.032  0.547  1.0
  S  S44  1  0.968  0.515  0.727  1.0
  S  S45  1  0.468  0.741  0.453  1.0
  S  S46  1  0.491  0.538  0.773  1.0
  S  S47  1  0.991  0.218  0.953  1.0
[/CIF]
.