The crystal structure described by TlSnPS4 crystallizes in the orthorhombic Pna2_1 space group. Tl(1) is bonded in a single-bond geometry to one S(4) atom. Sn(1) is bonded in a 4-coordinate geometry to one S(1), one S(2), and two equivalent S(3) atoms. P(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one Sn(1) and one P(1) atom. In the second S site, S(2) is bonded in a distorted L-shaped geometry to one Sn(1) and one P(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Sn(1) and one P(1) atom. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to one Tl(1) and one P(1) atom. is represented by the CIF card [CIF]
data_TlSnPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.798
_cell_length_b   8.958
_cell_length_c   12.228
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   744.725
_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
  Tl  Tl0  1  0.998  0.632  0.110  1.0
  Tl  Tl1  1  0.498  0.368  0.890  1.0
  Tl  Tl2  1  0.998  0.868  0.610  1.0
  Tl  Tl3  1  0.498  0.132  0.390  1.0
  Sn  Sn4  1  0.047  0.115  0.129  1.0
  Sn  Sn5  1  0.547  0.885  0.871  1.0
  Sn  Sn6  1  0.047  0.385  0.629  1.0
  Sn  Sn7  1  0.547  0.615  0.371  1.0
  P  P8  1  0.977  0.131  0.845  1.0
  P  P9  1  0.476  0.869  0.155  1.0
  P  P10  1  0.977  0.369  0.345  1.0
  P  P11  1  0.476  0.631  0.655  1.0
  S  S12  1  0.993  0.197  0.457  1.0
  S  S13  1  0.493  0.803  0.543  1.0
  S  S14  1  0.993  0.303  0.957  1.0
  S  S15  1  0.493  0.697  0.043  1.0
  S  S16  1  0.724  0.867  0.251  1.0
  S  S17  1  0.224  0.133  0.749  1.0
  S  S18  1  0.724  0.633  0.751  1.0
  S  S19  1  0.224  0.367  0.249  1.0
  S  S20  1  0.951  0.931  0.930  1.0
  S  S21  1  0.451  0.069  0.070  1.0
  S  S22  1  0.951  0.569  0.430  1.0
  S  S23  1  0.451  0.431  0.570  1.0
  S  S24  1  0.241  0.844  0.256  1.0
  S  S25  1  0.741  0.156  0.744  1.0
  S  S26  1  0.241  0.656  0.756  1.0
  S  S27  1  0.741  0.344  0.244  1.0
[/CIF]
.
The crystal structure described by TlSnPS4 crystallizes in the orthorhombic Pna2_1 space group. Tl(1) is bonded in a single-bond geometry to one S(4) atom. Sn(1) is bonded in a 4-coordinate geometry to one S(1), one S(2), and two equivalent S(3) atoms. P(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one Sn(1) and one P(1) atom. In the second S site, S(2) is bonded in a distorted L-shaped geometry to one Sn(1) and one P(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Sn(1) and one P(1) atom. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to one Tl(1) and one P(1) atom. is represented by the CIF card [CIF]
data_TlSnPS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.798
_cell_length_b   8.958
_cell_length_c   12.228
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   744.725
_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
  Tl  Tl0  1  0.998  0.632  0.110  1.0
  Tl  Tl1  1  0.498  0.368  0.890  1.0
  Tl  Tl2  1  0.998  0.868  0.610  1.0
  Tl  Tl3  1  0.498  0.132  0.390  1.0
  Sn  Sn4  1  0.047  0.115  0.129  1.0
  Sn  Sn5  1  0.547  0.885  0.871  1.0
  Sn  Sn6  1  0.047  0.385  0.629  1.0
  Sn  Sn7  1  0.547  0.615  0.371  1.0
  P  P8  1  0.977  0.131  0.845  1.0
  P  P9  1  0.476  0.869  0.155  1.0
  P  P10  1  0.977  0.369  0.345  1.0
  P  P11  1  0.476  0.631  0.655  1.0
  S  S12  1  0.993  0.197  0.457  1.0
  S  S13  1  0.493  0.803  0.543  1.0
  S  S14  1  0.993  0.303  0.957  1.0
  S  S15  1  0.493  0.697  0.043  1.0
  S  S16  1  0.724  0.867  0.251  1.0
  S  S17  1  0.224  0.133  0.749  1.0
  S  S18  1  0.724  0.633  0.751  1.0
  S  S19  1  0.224  0.367  0.249  1.0
  S  S20  1  0.951  0.931  0.930  1.0
  S  S21  1  0.451  0.069  0.070  1.0
  S  S22  1  0.951  0.569  0.430  1.0
  S  S23  1  0.451  0.431  0.570  1.0
  S  S24  1  0.241  0.844  0.256  1.0
  S  S25  1  0.741  0.156  0.744  1.0
  S  S26  1  0.241  0.656  0.756  1.0
  S  S27  1  0.741  0.344  0.244  1.0
[/CIF]
.