The material described by Pb5P3O13 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), and four equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Pb(2) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(2), two equivalent Pb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one P(1) atom. is represented by the CIF card [CIF]
data_P3Pb5O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.933
_cell_length_b   9.933
_cell_length_c   7.476
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   638.815
_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  0.399  0.030  0.250  1.0
  P  P1  1  0.601  0.970  0.750  1.0
  P  P2  1  0.970  0.369  0.250  1.0
  P  P3  1  0.030  0.631  0.750  1.0
  P  P4  1  0.631  0.601  0.250  1.0
  P  P5  1  0.369  0.399  0.750  1.0
  Pb  Pb6  1  0.333  0.667  0.000  1.0
  Pb  Pb7  1  0.667  0.333  1.000  1.0
  Pb  Pb8  1  0.667  0.333  0.500  1.0
  Pb  Pb9  1  0.333  0.667  0.500  1.0
  Pb  Pb10  1  0.233  0.236  0.250  1.0
  Pb  Pb11  1  0.767  0.764  0.750  1.0
  Pb  Pb12  1  0.764  0.997  0.250  1.0
  Pb  Pb13  1  0.236  0.003  0.750  1.0
  Pb  Pb14  1  0.003  0.767  0.250  1.0
  Pb  Pb15  1  0.997  0.233  0.750  1.0
  O  O16  1  0.149  0.479  0.250  1.0
  O  O17  1  0.851  0.521  0.750  1.0
  O  O18  1  0.521  0.670  0.250  1.0
  O  O19  1  0.479  0.330  0.750  1.0
  O  O20  1  0.330  0.851  0.250  1.0
  O  O21  1  0.670  0.149  0.750  1.0
  O  O22  1  0.000  0.000  0.250  1.0
  O  O23  1  0.000  0.000  0.750  1.0
  O  O24  1  0.581  0.116  0.250  1.0
  O  O25  1  0.419  0.884  0.750  1.0
  O  O26  1  0.884  0.466  0.250  1.0
  O  O27  1  0.116  0.534  0.750  1.0
  O  O28  1  0.534  0.419  0.250  1.0
  O  O29  1  0.466  0.581  0.750  1.0
  O  O30  1  0.345  0.085  0.083  1.0
  O  O31  1  0.655  0.915  0.917  1.0
  O  O32  1  0.915  0.260  0.083  1.0
  O  O33  1  0.655  0.915  0.583  1.0
  O  O34  1  0.085  0.740  0.917  1.0
  O  O35  1  0.345  0.085  0.417  1.0
  O  O36  1  0.740  0.655  0.083  1.0
  O  O37  1  0.085  0.740  0.583  1.0
  O  O38  1  0.260  0.345  0.917  1.0
  O  O39  1  0.915  0.260  0.417  1.0
  O  O40  1  0.260  0.345  0.583  1.0
  O  O41  1  0.740  0.655  0.417  1.0
[/CIF]
.
The material described by Pb5P3O13 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), and four equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Pb(2) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(2), two equivalent Pb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one P(1) atom. is represented by the CIF card [CIF]
data_P3Pb5O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.933
_cell_length_b   9.933
_cell_length_c   7.476
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   638.815
_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  0.399  0.030  0.250  1.0
  P  P1  1  0.601  0.970  0.750  1.0
  P  P2  1  0.970  0.369  0.250  1.0
  P  P3  1  0.030  0.631  0.750  1.0
  P  P4  1  0.631  0.601  0.250  1.0
  P  P5  1  0.369  0.399  0.750  1.0
  Pb  Pb6  1  0.333  0.667  0.000  1.0
  Pb  Pb7  1  0.667  0.333  1.000  1.0
  Pb  Pb8  1  0.667  0.333  0.500  1.0
  Pb  Pb9  1  0.333  0.667  0.500  1.0
  Pb  Pb10  1  0.233  0.236  0.250  1.0
  Pb  Pb11  1  0.767  0.764  0.750  1.0
  Pb  Pb12  1  0.764  0.997  0.250  1.0
  Pb  Pb13  1  0.236  0.003  0.750  1.0
  Pb  Pb14  1  0.003  0.767  0.250  1.0
  Pb  Pb15  1  0.997  0.233  0.750  1.0
  O  O16  1  0.149  0.479  0.250  1.0
  O  O17  1  0.851  0.521  0.750  1.0
  O  O18  1  0.521  0.670  0.250  1.0
  O  O19  1  0.479  0.330  0.750  1.0
  O  O20  1  0.330  0.851  0.250  1.0
  O  O21  1  0.670  0.149  0.750  1.0
  O  O22  1  0.000  0.000  0.250  1.0
  O  O23  1  0.000  0.000  0.750  1.0
  O  O24  1  0.581  0.116  0.250  1.0
  O  O25  1  0.419  0.884  0.750  1.0
  O  O26  1  0.884  0.466  0.250  1.0
  O  O27  1  0.116  0.534  0.750  1.0
  O  O28  1  0.534  0.419  0.250  1.0
  O  O29  1  0.466  0.581  0.750  1.0
  O  O30  1  0.345  0.085  0.083  1.0
  O  O31  1  0.655  0.915  0.917  1.0
  O  O32  1  0.915  0.260  0.083  1.0
  O  O33  1  0.655  0.915  0.583  1.0
  O  O34  1  0.085  0.740  0.917  1.0
  O  O35  1  0.345  0.085  0.417  1.0
  O  O36  1  0.740  0.655  0.083  1.0
  O  O37  1  0.085  0.740  0.583  1.0
  O  O38  1  0.260  0.345  0.917  1.0
  O  O39  1  0.915  0.260  0.417  1.0
  O  O40  1  0.260  0.345  0.583  1.0
  O  O41  1  0.740  0.655  0.417  1.0
[/CIF]
.