The material described by Na3P6(PbO9)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(7), one O(8), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Pb(1) is bonded in a distorted T-shaped geometry to one O(3), one O(5), and one O(7) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the third P site, P(3) is bonded to one O(2), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), one Pb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Pb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Pb(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3P6(PbO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.791
_cell_length_b   7.809
_cell_length_c   8.364
_cell_angle_alpha   117.633
_cell_angle_beta   102.820
_cell_angle_gamma   96.003
_symmetry_Int_Tables_number   1
_cell_volume   426.709
_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  0.328  0.651  0.469  1.0
  Na  Na1  1  0.672  0.349  0.531  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  P  P3  1  0.012  0.222  0.276  1.0
  P  P4  1  0.988  0.778  0.724  1.0
  P  P5  1  0.259  0.340  0.649  1.0
  P  P6  1  0.741  0.660  0.351  1.0
  P  P7  1  0.735  0.015  0.687  1.0
  P  P8  1  0.265  0.985  0.313  1.0
  Pb  Pb9  1  0.396  0.184  0.032  1.0
  Pb  Pb10  1  0.604  0.816  0.968  1.0
  O  O11  1  0.068  0.322  0.506  1.0
  O  O12  1  0.932  0.678  0.494  1.0
  O  O13  1  0.245  0.772  0.257  1.0
  O  O14  1  0.755  0.228  0.743  1.0
  O  O15  1  0.808  0.167  0.205  1.0
  O  O16  1  0.192  0.833  0.795  1.0
  O  O17  1  0.229  0.376  0.831  1.0
  O  O18  1  0.771  0.624  0.169  1.0
  O  O19  1  0.590  0.521  0.350  1.0
  O  O20  1  0.410  0.479  0.650  1.0
  O  O21  1  0.283  0.112  0.537  1.0
  O  O22  1  0.717  0.888  0.463  1.0
  O  O23  1  0.417  0.088  0.279  1.0
  O  O24  1  0.583  0.912  0.721  1.0
  O  O25  1  0.120  0.348  0.224  1.0
  O  O26  1  0.880  0.652  0.776  1.0
  O  O27  1  0.074  0.013  0.214  1.0
  O  O28  1  0.926  0.987  0.786  1.0
[/CIF]
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The material described by Na3P6(PbO9)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(7), one O(8), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form NaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Pb(1) is bonded in a distorted T-shaped geometry to one O(3), one O(5), and one O(7) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the third P site, P(3) is bonded to one O(2), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), one Pb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Pb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Pb(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3P6(PbO9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.791
_cell_length_b   7.809
_cell_length_c   8.364
_cell_angle_alpha   117.633
_cell_angle_beta   102.820
_cell_angle_gamma   96.003
_symmetry_Int_Tables_number   1
_cell_volume   426.709
_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  0.328  0.651  0.469  1.0
  Na  Na1  1  0.672  0.349  0.531  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  P  P3  1  0.012  0.222  0.276  1.0
  P  P4  1  0.988  0.778  0.724  1.0
  P  P5  1  0.259  0.340  0.649  1.0
  P  P6  1  0.741  0.660  0.351  1.0
  P  P7  1  0.735  0.015  0.687  1.0
  P  P8  1  0.265  0.985  0.313  1.0
  Pb  Pb9  1  0.396  0.184  0.032  1.0
  Pb  Pb10  1  0.604  0.816  0.968  1.0
  O  O11  1  0.068  0.322  0.506  1.0
  O  O12  1  0.932  0.678  0.494  1.0
  O  O13  1  0.245  0.772  0.257  1.0
  O  O14  1  0.755  0.228  0.743  1.0
  O  O15  1  0.808  0.167  0.205  1.0
  O  O16  1  0.192  0.833  0.795  1.0
  O  O17  1  0.229  0.376  0.831  1.0
  O  O18  1  0.771  0.624  0.169  1.0
  O  O19  1  0.590  0.521  0.350  1.0
  O  O20  1  0.410  0.479  0.650  1.0
  O  O21  1  0.283  0.112  0.537  1.0
  O  O22  1  0.717  0.888  0.463  1.0
  O  O23  1  0.417  0.088  0.279  1.0
  O  O24  1  0.583  0.912  0.721  1.0
  O  O25  1  0.120  0.348  0.224  1.0
  O  O26  1  0.880  0.652  0.776  1.0
  O  O27  1  0.074  0.013  0.214  1.0
  O  O28  1  0.926  0.987  0.786  1.0
[/CIF]
.