The crystal structure described by TlPS3 is Indium-derived structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and two PS3 clusters. In each PS3 cluster, P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing PS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one P(1) atom. In the second S site, S(2) is bonded in an L-shaped geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlPS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   7.000
_cell_length_c   7.000
_cell_angle_alpha   70.362
_cell_angle_beta   60.090
_cell_angle_gamma   60.090
_symmetry_Int_Tables_number   1
_cell_volume   255.244
_cell_formula_units_Z   2
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  0.000  0.260  0.740  1.0
  Tl  Tl1  1  0.000  0.740  0.260  1.0
  P  P2  1  0.663  0.337  0.337  1.0
  P  P3  1  0.337  0.663  0.663  1.0
  S  S4  1  0.537  0.223  0.223  1.0
  S  S5  1  0.983  0.777  0.777  1.0
  S  S6  1  0.500  0.308  0.692  1.0
  S  S7  1  0.500  0.692  0.308  1.0
  S  S8  1  0.463  0.777  0.777  1.0
  S  S9  1  0.017  0.223  0.223  1.0
[/CIF]
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The crystal structure described by TlPS3 is Indium-derived structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of four 7440-28-0 atoms and two PS3 clusters. In each PS3 cluster, P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing PS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one P(1) atom. In the second S site, S(2) is bonded in an L-shaped geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlPS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   7.000
_cell_length_c   7.000
_cell_angle_alpha   70.362
_cell_angle_beta   60.090
_cell_angle_gamma   60.090
_symmetry_Int_Tables_number   1
_cell_volume   255.244
_cell_formula_units_Z   2
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  0.000  0.260  0.740  1.0
  Tl  Tl1  1  0.000  0.740  0.260  1.0
  P  P2  1  0.663  0.337  0.337  1.0
  P  P3  1  0.337  0.663  0.663  1.0
  S  S4  1  0.537  0.223  0.223  1.0
  S  S5  1  0.983  0.777  0.777  1.0
  S  S6  1  0.500  0.308  0.692  1.0
  S  S7  1  0.500  0.692  0.308  1.0
  S  S8  1  0.463  0.777  0.777  1.0
  S  S9  1  0.017  0.223  0.223  1.0
[/CIF]
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