The structure described by SmPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Sm site, Sm(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted SmS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. 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 Sm(2)S8 hexagonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Sm(1), one Sm(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Sm(1), one Sm(2), and one P(1) atom. is represented by the CIF card [CIF]
data_SmPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.324
_cell_length_b   12.324
_cell_length_c   12.324
_cell_angle_alpha   127.716
_cell_angle_beta   127.716
_cell_angle_gamma   77.086
_symmetry_Int_Tables_number   1
_cell_volume   1136.869
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.750  0.250  0.500  1.0
  Sm  Sm2  1  0.250  0.750  0.500  1.0
  Sm  Sm3  1  0.500  0.500  1.000  1.0
  Sm  Sm4  1  0.750  0.750  1.000  1.0
  Sm  Sm5  1  0.500  0.000  0.500  1.0
  Sm  Sm6  1  1.000  0.500  0.500  1.0
  Sm  Sm7  1  0.250  0.250  1.000  1.0
  P  P8  1  0.125  0.413  0.788  1.0
  P  P9  1  0.125  0.913  0.288  1.0
  P  P10  1  0.663  0.875  0.288  1.0
  P  P11  1  0.587  0.375  0.712  1.0
  P  P12  1  0.625  0.837  0.712  1.0
  P  P13  1  0.625  0.337  0.212  1.0
  P  P14  1  0.087  0.375  0.212  1.0
  P  P15  1  0.163  0.875  0.788  1.0
  S  S16  1  0.485  0.214  0.454  1.0
  S  S17  1  0.760  0.032  0.546  1.0
  S  S18  1  0.782  0.735  0.772  1.0
  S  S19  1  0.964  0.010  0.228  1.0
  S  S20  1  0.490  0.536  0.772  1.0
  S  S21  1  0.765  0.718  0.228  1.0
  S  S22  1  0.286  0.015  0.546  1.0
  S  S23  1  0.468  0.740  0.454  1.0
  S  S24  1  0.279  0.465  0.319  1.0
  S  S25  1  0.215  0.396  0.686  1.0
  S  S26  1  0.710  0.529  0.314  1.0
  S  S27  1  0.971  0.790  0.686  1.0
  S  S28  1  0.104  0.285  0.314  1.0
  S  S29  1  0.540  0.354  0.319  1.0
  S  S30  1  0.035  0.221  0.681  1.0
  S  S31  1  0.146  0.960  0.681  1.0
  S  S32  1  0.471  0.785  0.181  1.0
  S  S33  1  0.535  0.854  0.814  1.0
  S  S34  1  0.040  0.721  0.186  1.0
  S  S35  1  0.779  0.460  0.814  1.0
  S  S36  1  0.646  0.965  0.186  1.0
  S  S37  1  0.210  0.896  0.181  1.0
  S  S38  1  0.715  0.029  0.819  1.0
  S  S39  1  0.604  0.290  0.819  1.0
  S  S40  1  0.990  0.218  0.954  1.0
  S  S41  1  0.968  0.515  0.728  1.0
  S  S42  1  0.786  0.240  0.272  1.0
  S  S43  1  0.260  0.714  0.728  1.0
  S  S44  1  0.985  0.532  0.272  1.0
  S  S45  1  0.464  0.235  0.954  1.0
  S  S46  1  0.282  0.510  0.046  1.0
  S  S47  1  0.265  0.036  0.046  1.0
[/CIF]
.
The structure described by SmPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Sm site, Sm(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted SmS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. 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 Sm(2)S8 hexagonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Sm(1), one Sm(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Sm(1), one Sm(2), and one P(1) atom. is represented by the CIF card [CIF]
data_SmPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.324
_cell_length_b   12.324
_cell_length_c   12.324
_cell_angle_alpha   127.716
_cell_angle_beta   127.716
_cell_angle_gamma   77.086
_symmetry_Int_Tables_number   1
_cell_volume   1136.869
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.750  0.250  0.500  1.0
  Sm  Sm2  1  0.250  0.750  0.500  1.0
  Sm  Sm3  1  0.500  0.500  1.000  1.0
  Sm  Sm4  1  0.750  0.750  1.000  1.0
  Sm  Sm5  1  0.500  0.000  0.500  1.0
  Sm  Sm6  1  1.000  0.500  0.500  1.0
  Sm  Sm7  1  0.250  0.250  1.000  1.0
  P  P8  1  0.125  0.413  0.788  1.0
  P  P9  1  0.125  0.913  0.288  1.0
  P  P10  1  0.663  0.875  0.288  1.0
  P  P11  1  0.587  0.375  0.712  1.0
  P  P12  1  0.625  0.837  0.712  1.0
  P  P13  1  0.625  0.337  0.212  1.0
  P  P14  1  0.087  0.375  0.212  1.0
  P  P15  1  0.163  0.875  0.788  1.0
  S  S16  1  0.485  0.214  0.454  1.0
  S  S17  1  0.760  0.032  0.546  1.0
  S  S18  1  0.782  0.735  0.772  1.0
  S  S19  1  0.964  0.010  0.228  1.0
  S  S20  1  0.490  0.536  0.772  1.0
  S  S21  1  0.765  0.718  0.228  1.0
  S  S22  1  0.286  0.015  0.546  1.0
  S  S23  1  0.468  0.740  0.454  1.0
  S  S24  1  0.279  0.465  0.319  1.0
  S  S25  1  0.215  0.396  0.686  1.0
  S  S26  1  0.710  0.529  0.314  1.0
  S  S27  1  0.971  0.790  0.686  1.0
  S  S28  1  0.104  0.285  0.314  1.0
  S  S29  1  0.540  0.354  0.319  1.0
  S  S30  1  0.035  0.221  0.681  1.0
  S  S31  1  0.146  0.960  0.681  1.0
  S  S32  1  0.471  0.785  0.181  1.0
  S  S33  1  0.535  0.854  0.814  1.0
  S  S34  1  0.040  0.721  0.186  1.0
  S  S35  1  0.779  0.460  0.814  1.0
  S  S36  1  0.646  0.965  0.186  1.0
  S  S37  1  0.210  0.896  0.181  1.0
  S  S38  1  0.715  0.029  0.819  1.0
  S  S39  1  0.604  0.290  0.819  1.0
  S  S40  1  0.990  0.218  0.954  1.0
  S  S41  1  0.968  0.515  0.728  1.0
  S  S42  1  0.786  0.240  0.272  1.0
  S  S43  1  0.260  0.714  0.728  1.0
  S  S44  1  0.985  0.532  0.272  1.0
  S  S45  1  0.464  0.235  0.954  1.0
  S  S46  1  0.282  0.510  0.046  1.0
  S  S47  1  0.265  0.036  0.046  1.0
[/CIF]
.