The material structure described by Pb3(PS4)2 crystallizes in the cubic P2_13 space group. Pb(1) is bonded in a 5-coordinate geometry to one S(2), two equivalent S(1), and two equivalent S(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(1) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(2) is bonded in a distorted single-bond geometry to three equivalent Pb(1) and one P(2) atom. In the second S site, S(3) is bonded in a single-bond geometry to one P(1) atom. In the third S site, S(4) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom. In the fourth S site, S(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. is represented by the CIF file [CIF]
data_P2Pb3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.075
_cell_length_b   11.075
_cell_length_c   11.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1358.339
_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
  P  P0  1  0.152  0.348  0.652  1.0
  P  P1  1  0.348  0.652  0.152  1.0
  P  P2  1  0.652  0.152  0.348  1.0
  P  P3  1  0.848  0.848  0.848  1.0
  P  P4  1  0.426  0.074  0.926  1.0
  P  P5  1  0.074  0.926  0.426  1.0
  P  P6  1  0.926  0.426  0.074  1.0
  P  P7  1  0.574  0.574  0.574  1.0
  Pb  Pb8  1  0.029  0.738  0.140  1.0
  Pb  Pb9  1  0.529  0.762  0.860  1.0
  Pb  Pb10  1  0.971  0.238  0.360  1.0
  Pb  Pb11  1  0.762  0.860  0.529  1.0
  Pb  Pb12  1  0.360  0.971  0.238  1.0
  Pb  Pb13  1  0.860  0.529  0.762  1.0
  Pb  Pb14  1  0.738  0.140  0.029  1.0
  Pb  Pb15  1  0.140  0.029  0.738  1.0
  Pb  Pb16  1  0.238  0.360  0.971  1.0
  Pb  Pb17  1  0.262  0.640  0.471  1.0
  Pb  Pb18  1  0.640  0.471  0.262  1.0
  Pb  Pb19  1  0.471  0.262  0.640  1.0
  S  S20  1  0.446  0.729  0.289  1.0
  S  S21  1  0.054  0.271  0.789  1.0
  S  S22  1  0.271  0.789  0.054  1.0
  S  S23  1  0.789  0.054  0.271  1.0
  S  S24  1  0.771  0.711  0.946  1.0
  S  S25  1  0.946  0.771  0.711  1.0
  S  S26  1  0.229  0.211  0.554  1.0
  S  S27  1  0.729  0.289  0.446  1.0
  S  S28  1  0.554  0.229  0.211  1.0
  S  S29  1  0.289  0.446  0.729  1.0
  S  S30  1  0.211  0.554  0.229  1.0
  S  S31  1  0.711  0.946  0.771  1.0
  S  S32  1  0.466  0.466  0.466  1.0
  S  S33  1  0.034  0.534  0.966  1.0
  S  S34  1  0.966  0.034  0.534  1.0
  S  S35  1  0.534  0.966  0.034  1.0
  S  S36  1  0.953  0.953  0.953  1.0
  S  S37  1  0.547  0.047  0.453  1.0
  S  S38  1  0.453  0.547  0.047  1.0
  S  S39  1  0.047  0.453  0.547  1.0
  S  S40  1  0.093  0.004  0.261  1.0
  S  S41  1  0.261  0.093  0.004  1.0
  S  S42  1  0.004  0.261  0.093  1.0
  S  S43  1  0.496  0.739  0.593  1.0
  S  S44  1  0.761  0.407  0.996  1.0
  S  S45  1  0.996  0.761  0.407  1.0
  S  S46  1  0.239  0.907  0.504  1.0
  S  S47  1  0.739  0.593  0.496  1.0
  S  S48  1  0.504  0.239  0.907  1.0
  S  S49  1  0.593  0.496  0.739  1.0
  S  S50  1  0.907  0.504  0.239  1.0
  S  S51  1  0.407  0.996  0.761  1.0
[/CIF]
.
The material structure described by Pb3(PS4)2 crystallizes in the cubic P2_13 space group. Pb(1) is bonded in a 5-coordinate geometry to one S(2), two equivalent S(1), and two equivalent S(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(1) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(2) is bonded in a distorted single-bond geometry to three equivalent Pb(1) and one P(2) atom. In the second S site, S(3) is bonded in a single-bond geometry to one P(1) atom. In the third S site, S(4) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom. In the fourth S site, S(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. is represented by the CIF file [CIF]
data_P2Pb3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.075
_cell_length_b   11.075
_cell_length_c   11.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1358.339
_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
  P  P0  1  0.152  0.348  0.652  1.0
  P  P1  1  0.348  0.652  0.152  1.0
  P  P2  1  0.652  0.152  0.348  1.0
  P  P3  1  0.848  0.848  0.848  1.0
  P  P4  1  0.426  0.074  0.926  1.0
  P  P5  1  0.074  0.926  0.426  1.0
  P  P6  1  0.926  0.426  0.074  1.0
  P  P7  1  0.574  0.574  0.574  1.0
  Pb  Pb8  1  0.029  0.738  0.140  1.0
  Pb  Pb9  1  0.529  0.762  0.860  1.0
  Pb  Pb10  1  0.971  0.238  0.360  1.0
  Pb  Pb11  1  0.762  0.860  0.529  1.0
  Pb  Pb12  1  0.360  0.971  0.238  1.0
  Pb  Pb13  1  0.860  0.529  0.762  1.0
  Pb  Pb14  1  0.738  0.140  0.029  1.0
  Pb  Pb15  1  0.140  0.029  0.738  1.0
  Pb  Pb16  1  0.238  0.360  0.971  1.0
  Pb  Pb17  1  0.262  0.640  0.471  1.0
  Pb  Pb18  1  0.640  0.471  0.262  1.0
  Pb  Pb19  1  0.471  0.262  0.640  1.0
  S  S20  1  0.446  0.729  0.289  1.0
  S  S21  1  0.054  0.271  0.789  1.0
  S  S22  1  0.271  0.789  0.054  1.0
  S  S23  1  0.789  0.054  0.271  1.0
  S  S24  1  0.771  0.711  0.946  1.0
  S  S25  1  0.946  0.771  0.711  1.0
  S  S26  1  0.229  0.211  0.554  1.0
  S  S27  1  0.729  0.289  0.446  1.0
  S  S28  1  0.554  0.229  0.211  1.0
  S  S29  1  0.289  0.446  0.729  1.0
  S  S30  1  0.211  0.554  0.229  1.0
  S  S31  1  0.711  0.946  0.771  1.0
  S  S32  1  0.466  0.466  0.466  1.0
  S  S33  1  0.034  0.534  0.966  1.0
  S  S34  1  0.966  0.034  0.534  1.0
  S  S35  1  0.534  0.966  0.034  1.0
  S  S36  1  0.953  0.953  0.953  1.0
  S  S37  1  0.547  0.047  0.453  1.0
  S  S38  1  0.453  0.547  0.047  1.0
  S  S39  1  0.047  0.453  0.547  1.0
  S  S40  1  0.093  0.004  0.261  1.0
  S  S41  1  0.261  0.093  0.004  1.0
  S  S42  1  0.004  0.261  0.093  1.0
  S  S43  1  0.496  0.739  0.593  1.0
  S  S44  1  0.761  0.407  0.996  1.0
  S  S45  1  0.996  0.761  0.407  1.0
  S  S46  1  0.239  0.907  0.504  1.0
  S  S47  1  0.739  0.593  0.496  1.0
  S  S48  1  0.504  0.239  0.907  1.0
  S  S49  1  0.593  0.496  0.739  1.0
  S  S50  1  0.907  0.504  0.239  1.0
  S  S51  1  0.407  0.996  0.761  1.0
[/CIF]
.