The structure described by Na6Pb3P4S16 crystallizes in the trigonal R3m space group. Na(1) is bonded in a 6-coordinate geometry to one S(2), one S(5), two equivalent S(1), and two equivalent S(4) atoms. Pb(1) is bonded in a 4-coordinate geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one S(4), one S(5), and two equivalent S(1) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are five inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Pb(1), and one P(1) atom. In the second S site, S(2) is bonded to two equivalent Na(1), one Pb(1), and one P(2) atom to form distorted corner-sharing SNa2PPb trigonal pyramids. In the third S site, S(3) is bonded in a distorted single-bond geometry to three equivalent Pb(1) and one P(2) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one P(1) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6P4Pb3S16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.534
_cell_length_b   11.534
_cell_length_c   11.534
_cell_angle_alpha   116.818
_cell_angle_beta   116.818
_cell_angle_gamma   116.818
_symmetry_Int_Tables_number   1
_cell_volume   695.927
_cell_formula_units_Z   1
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
  Na  Na0  1  0.398  0.850  0.655  1.0
  Na  Na1  1  0.850  0.398  0.655  1.0
  Na  Na2  1  0.655  0.850  0.398  1.0
  Na  Na3  1  0.398  0.655  0.850  1.0
  Na  Na4  1  0.655  0.398  0.850  1.0
  Na  Na5  1  0.850  0.655  0.398  1.0
  P  P6  1  0.235  0.235  0.761  1.0
  P  P7  1  0.235  0.761  0.235  1.0
  P  P8  1  0.761  0.235  0.235  1.0
  P  P9  1  0.419  0.419  0.419  1.0
  Pb  Pb10  1  0.012  0.012  0.278  1.0
  Pb  Pb11  1  0.278  0.012  0.012  1.0
  Pb  Pb12  1  0.012  0.278  0.012  1.0
  S  S13  1  0.034  0.205  0.571  1.0
  S  S14  1  0.640  0.467  0.467  1.0
  S  S15  1  0.571  0.034  0.205  1.0
  S  S16  1  0.090  0.090  0.090  1.0
  S  S17  1  0.467  0.467  0.640  1.0
  S  S18  1  0.570  0.062  0.570  1.0
  S  S19  1  0.104  0.104  0.807  1.0
  S  S20  1  0.570  0.570  0.062  1.0
  S  S21  1  0.062  0.570  0.570  1.0
  S  S22  1  0.205  0.034  0.571  1.0
  S  S23  1  0.467  0.640  0.467  1.0
  S  S24  1  0.571  0.205  0.034  1.0
  S  S25  1  0.034  0.571  0.205  1.0
  S  S26  1  0.205  0.571  0.034  1.0
  S  S27  1  0.104  0.807  0.104  1.0
  S  S28  1  0.807  0.104  0.104  1.0
[/CIF]
.
The structure described by Na6Pb3P4S16 crystallizes in the trigonal R3m space group. Na(1) is bonded in a 6-coordinate geometry to one S(2), one S(5), two equivalent S(1), and two equivalent S(4) atoms. Pb(1) is bonded in a 4-coordinate geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one S(4), one S(5), and two equivalent S(1) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are five inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Pb(1), and one P(1) atom. In the second S site, S(2) is bonded to two equivalent Na(1), one Pb(1), and one P(2) atom to form distorted corner-sharing SNa2PPb trigonal pyramids. In the third S site, S(3) is bonded in a distorted single-bond geometry to three equivalent Pb(1) and one P(2) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one P(1) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na6P4Pb3S16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.534
_cell_length_b   11.534
_cell_length_c   11.534
_cell_angle_alpha   116.818
_cell_angle_beta   116.818
_cell_angle_gamma   116.818
_symmetry_Int_Tables_number   1
_cell_volume   695.927
_cell_formula_units_Z   1
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
  Na  Na0  1  0.398  0.850  0.655  1.0
  Na  Na1  1  0.850  0.398  0.655  1.0
  Na  Na2  1  0.655  0.850  0.398  1.0
  Na  Na3  1  0.398  0.655  0.850  1.0
  Na  Na4  1  0.655  0.398  0.850  1.0
  Na  Na5  1  0.850  0.655  0.398  1.0
  P  P6  1  0.235  0.235  0.761  1.0
  P  P7  1  0.235  0.761  0.235  1.0
  P  P8  1  0.761  0.235  0.235  1.0
  P  P9  1  0.419  0.419  0.419  1.0
  Pb  Pb10  1  0.012  0.012  0.278  1.0
  Pb  Pb11  1  0.278  0.012  0.012  1.0
  Pb  Pb12  1  0.012  0.278  0.012  1.0
  S  S13  1  0.034  0.205  0.571  1.0
  S  S14  1  0.640  0.467  0.467  1.0
  S  S15  1  0.571  0.034  0.205  1.0
  S  S16  1  0.090  0.090  0.090  1.0
  S  S17  1  0.467  0.467  0.640  1.0
  S  S18  1  0.570  0.062  0.570  1.0
  S  S19  1  0.104  0.104  0.807  1.0
  S  S20  1  0.570  0.570  0.062  1.0
  S  S21  1  0.062  0.570  0.570  1.0
  S  S22  1  0.205  0.034  0.571  1.0
  S  S23  1  0.467  0.640  0.467  1.0
  S  S24  1  0.571  0.205  0.034  1.0
  S  S25  1  0.034  0.571  0.205  1.0
  S  S26  1  0.205  0.571  0.034  1.0
  S  S27  1  0.104  0.807  0.104  1.0
  S  S28  1  0.807  0.104  0.104  1.0
[/CIF]
.