The crystal structure described by P4S5 is alpha U structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two tetraphosphorus pentasulfide molecules. There are three inequivalent P sites. In the first P site, P(1) is bonded in a trigonal non-coplanar geometry to one S(1) and two equivalent S(3) atoms. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one S(1) and two equivalent S(2) atoms. In the third P site, P(3) is bonded in a distorted water-like geometry to one P(3), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second S site, S(2) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the third S site, S(3) is bonded in a water-like geometry to one P(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_P4S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.492
_cell_length_b   6.736
_cell_length_c   11.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.758
_symmetry_Int_Tables_number   1
_cell_volume   450.332
_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
  P  P0  1  0.714  0.653  0.750  1.0
  P  P1  1  0.286  0.347  0.250  1.0
  P  P2  1  0.135  0.229  0.750  1.0
  P  P3  1  0.865  0.771  0.250  1.0
  P  P4  1  0.577  0.143  0.851  1.0
  P  P5  1  0.423  0.857  0.351  1.0
  P  P6  1  0.423  0.857  0.149  1.0
  P  P7  1  0.577  0.143  0.649  1.0
  S  S8  1  0.359  0.572  0.750  1.0
  S  S9  1  0.641  0.428  0.250  1.0
  S  S10  1  0.236  0.083  0.889  1.0
  S  S11  1  0.764  0.917  0.389  1.0
  S  S12  1  0.764  0.917  0.111  1.0
  S  S13  1  0.236  0.083  0.611  1.0
  S  S14  1  0.775  0.479  0.889  1.0
  S  S15  1  0.225  0.521  0.389  1.0
  S  S16  1  0.225  0.521  0.111  1.0
  S  S17  1  0.775  0.479  0.611  1.0
[/CIF]
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The crystal structure described by P4S5 is alpha U structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two tetraphosphorus pentasulfide molecules. There are three inequivalent P sites. In the first P site, P(1) is bonded in a trigonal non-coplanar geometry to one S(1) and two equivalent S(3) atoms. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one S(1) and two equivalent S(2) atoms. In the third P site, P(3) is bonded in a distorted water-like geometry to one P(3), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second S site, S(2) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the third S site, S(3) is bonded in a water-like geometry to one P(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_P4S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.492
_cell_length_b   6.736
_cell_length_c   11.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.758
_symmetry_Int_Tables_number   1
_cell_volume   450.332
_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
  P  P0  1  0.714  0.653  0.750  1.0
  P  P1  1  0.286  0.347  0.250  1.0
  P  P2  1  0.135  0.229  0.750  1.0
  P  P3  1  0.865  0.771  0.250  1.0
  P  P4  1  0.577  0.143  0.851  1.0
  P  P5  1  0.423  0.857  0.351  1.0
  P  P6  1  0.423  0.857  0.149  1.0
  P  P7  1  0.577  0.143  0.649  1.0
  S  S8  1  0.359  0.572  0.750  1.0
  S  S9  1  0.641  0.428  0.250  1.0
  S  S10  1  0.236  0.083  0.889  1.0
  S  S11  1  0.764  0.917  0.389  1.0
  S  S12  1  0.764  0.917  0.111  1.0
  S  S13  1  0.236  0.083  0.611  1.0
  S  S14  1  0.775  0.479  0.889  1.0
  S  S15  1  0.225  0.521  0.389  1.0
  S  S16  1  0.225  0.521  0.111  1.0
  S  S17  1  0.775  0.479  0.611  1.0
[/CIF]
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