The material described by SrTh(PS4)2 is Zircon-derived structured and crystallizes in the tetragonal P4_2/mbc space group. Sr(1) is bonded to four equivalent S(1) and four equivalent S(3) atoms to form distorted SrS8 hexagonal bipyramids that share edges with two equivalent Sr(1)S8 hexagonal bipyramids and edges with four equivalent P(1)S4 tetrahedra. Th(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. P(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form PS4 tetrahedra that share edges with two equivalent Sr(1)S8 hexagonal bipyramids. There are three inequivalent S sites. In the first S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one P(1) atom. In the second S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one P(1) atom. In the third S site, S(1) is bonded in a distorted T-shaped geometry to one Sr(1), one Th(1), and one P(1) atom. is represented by the CIF file [CIF]
data_SrTh(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.242
_cell_length_b   11.242
_cell_length_c   9.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1234.138
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.500  0.000  0.750  1.0
  Sr  Sr1  1  0.000  0.500  0.250  1.0
  Sr  Sr2  1  0.000  0.500  0.750  1.0
  Sr  Sr3  1  0.500  0.000  0.250  1.0
  Th  Th4  1  0.500  0.500  0.750  1.0
  Th  Th5  1  0.500  0.500  0.250  1.0
  Th  Th6  1  0.000  0.000  0.750  1.0
  Th  Th7  1  0.000  0.000  0.250  1.0
  P  P8  1  0.465  0.259  0.500  1.0
  P  P9  1  0.741  0.465  0.000  1.0
  P  P10  1  0.965  0.241  0.500  1.0
  P  P11  1  0.759  0.965  0.000  1.0
  P  P12  1  0.535  0.741  0.500  1.0
  P  P13  1  0.259  0.535  0.000  1.0
  P  P14  1  0.035  0.759  0.500  1.0
  P  P15  1  0.241  0.035  0.000  1.0
  S  S16  1  0.266  0.431  0.827  1.0
  S  S17  1  0.569  0.266  0.327  1.0
  S  S18  1  0.766  0.069  0.827  1.0
  S  S19  1  0.931  0.766  0.327  1.0
  S  S20  1  0.266  0.431  0.173  1.0
  S  S21  1  0.569  0.266  0.673  1.0
  S  S22  1  0.766  0.069  0.173  1.0
  S  S23  1  0.931  0.766  0.673  1.0
  S  S24  1  0.734  0.569  0.173  1.0
  S  S25  1  0.431  0.734  0.673  1.0
  S  S26  1  0.234  0.931  0.173  1.0
  S  S27  1  0.069  0.234  0.673  1.0
  S  S28  1  0.734  0.569  0.827  1.0
  S  S29  1  0.431  0.734  0.327  1.0
  S  S30  1  0.234  0.931  0.827  1.0
  S  S31  1  0.069  0.234  0.327  1.0
  S  S32  1  0.367  0.417  0.500  1.0
  S  S33  1  0.583  0.367  0.000  1.0
  S  S34  1  0.867  0.083  0.500  1.0
  S  S35  1  0.917  0.867  0.000  1.0
  S  S36  1  0.633  0.583  0.500  1.0
  S  S37  1  0.417  0.633  0.000  1.0
  S  S38  1  0.133  0.917  0.500  1.0
  S  S39  1  0.083  0.133  0.000  1.0
  S  S40  1  0.366  0.110  0.500  1.0
  S  S41  1  0.890  0.366  0.000  1.0
  S  S42  1  0.866  0.390  0.500  1.0
  S  S43  1  0.610  0.866  0.000  1.0
  S  S44  1  0.634  0.890  0.500  1.0
  S  S45  1  0.110  0.634  0.000  1.0
  S  S46  1  0.134  0.610  0.500  1.0
  S  S47  1  0.390  0.134  0.000  1.0
[/CIF]
.
The material described by SrTh(PS4)2 is Zircon-derived structured and crystallizes in the tetragonal P4_2/mbc space group. Sr(1) is bonded to four equivalent S(1) and four equivalent S(3) atoms to form distorted SrS8 hexagonal bipyramids that share edges with two equivalent Sr(1)S8 hexagonal bipyramids and edges with four equivalent P(1)S4 tetrahedra. Th(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. P(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form PS4 tetrahedra that share edges with two equivalent Sr(1)S8 hexagonal bipyramids. There are three inequivalent S sites. In the first S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one P(1) atom. In the second S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one P(1) atom. In the third S site, S(1) is bonded in a distorted T-shaped geometry to one Sr(1), one Th(1), and one P(1) atom. is represented by the CIF file [CIF]
data_SrTh(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.242
_cell_length_b   11.242
_cell_length_c   9.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1234.138
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.500  0.000  0.750  1.0
  Sr  Sr1  1  0.000  0.500  0.250  1.0
  Sr  Sr2  1  0.000  0.500  0.750  1.0
  Sr  Sr3  1  0.500  0.000  0.250  1.0
  Th  Th4  1  0.500  0.500  0.750  1.0
  Th  Th5  1  0.500  0.500  0.250  1.0
  Th  Th6  1  0.000  0.000  0.750  1.0
  Th  Th7  1  0.000  0.000  0.250  1.0
  P  P8  1  0.465  0.259  0.500  1.0
  P  P9  1  0.741  0.465  0.000  1.0
  P  P10  1  0.965  0.241  0.500  1.0
  P  P11  1  0.759  0.965  0.000  1.0
  P  P12  1  0.535  0.741  0.500  1.0
  P  P13  1  0.259  0.535  0.000  1.0
  P  P14  1  0.035  0.759  0.500  1.0
  P  P15  1  0.241  0.035  0.000  1.0
  S  S16  1  0.266  0.431  0.827  1.0
  S  S17  1  0.569  0.266  0.327  1.0
  S  S18  1  0.766  0.069  0.827  1.0
  S  S19  1  0.931  0.766  0.327  1.0
  S  S20  1  0.266  0.431  0.173  1.0
  S  S21  1  0.569  0.266  0.673  1.0
  S  S22  1  0.766  0.069  0.173  1.0
  S  S23  1  0.931  0.766  0.673  1.0
  S  S24  1  0.734  0.569  0.173  1.0
  S  S25  1  0.431  0.734  0.673  1.0
  S  S26  1  0.234  0.931  0.173  1.0
  S  S27  1  0.069  0.234  0.673  1.0
  S  S28  1  0.734  0.569  0.827  1.0
  S  S29  1  0.431  0.734  0.327  1.0
  S  S30  1  0.234  0.931  0.827  1.0
  S  S31  1  0.069  0.234  0.327  1.0
  S  S32  1  0.367  0.417  0.500  1.0
  S  S33  1  0.583  0.367  0.000  1.0
  S  S34  1  0.867  0.083  0.500  1.0
  S  S35  1  0.917  0.867  0.000  1.0
  S  S36  1  0.633  0.583  0.500  1.0
  S  S37  1  0.417  0.633  0.000  1.0
  S  S38  1  0.133  0.917  0.500  1.0
  S  S39  1  0.083  0.133  0.000  1.0
  S  S40  1  0.366  0.110  0.500  1.0
  S  S41  1  0.890  0.366  0.000  1.0
  S  S42  1  0.866  0.390  0.500  1.0
  S  S43  1  0.610  0.866  0.000  1.0
  S  S44  1  0.634  0.890  0.500  1.0
  S  S45  1  0.110  0.634  0.000  1.0
  S  S46  1  0.134  0.610  0.500  1.0
  S  S47  1  0.390  0.134  0.000  1.0
[/CIF]
.