The structure described by NaAs3(PbO3)4 crystallizes in the hexagonal P6_3 space group. Na(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to three equivalent O(4) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Pb(1), one Pb(2), and one As(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one As(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one As(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Pb(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaAs3(PbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.227
_cell_length_b   10.227
_cell_length_c   7.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   674.225
_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
  Na  Na0  1  0.667  0.333  0.508  1.0
  Na  Na1  1  0.333  0.667  0.008  1.0
  As  As2  1  0.983  0.377  0.252  1.0
  As  As3  1  0.394  0.017  0.252  1.0
  As  As4  1  0.623  0.606  0.252  1.0
  As  As5  1  0.017  0.623  0.752  1.0
  As  As6  1  0.606  0.983  0.752  1.0
  As  As7  1  0.377  0.394  0.752  1.0
  Pb  Pb8  1  0.742  0.744  0.749  1.0
  Pb  Pb9  1  0.002  0.258  0.749  1.0
  Pb  Pb10  1  0.256  0.998  0.749  1.0
  Pb  Pb11  1  0.258  0.256  0.249  1.0
  Pb  Pb12  1  0.998  0.742  0.249  1.0
  Pb  Pb13  1  0.744  0.002  0.249  1.0
  Pb  Pb14  1  0.333  0.667  0.486  1.0
  Pb  Pb15  1  0.667  0.333  0.986  1.0
  O  O16  1  0.660  0.915  0.932  1.0
  O  O17  1  0.255  0.340  0.932  1.0
  O  O18  1  0.085  0.745  0.932  1.0
  O  O19  1  0.340  0.085  0.432  1.0
  O  O20  1  0.745  0.660  0.432  1.0
  O  O21  1  0.915  0.255  0.432  1.0
  O  O22  1  0.347  0.087  0.068  1.0
  O  O23  1  0.741  0.653  0.068  1.0
  O  O24  1  0.913  0.259  0.068  1.0
  O  O25  1  0.653  0.913  0.568  1.0
  O  O26  1  0.259  0.347  0.568  1.0
  O  O27  1  0.087  0.741  0.568  1.0
  O  O28  1  0.897  0.487  0.252  1.0
  O  O29  1  0.590  0.103  0.252  1.0
  O  O30  1  0.513  0.410  0.252  1.0
  O  O31  1  0.103  0.513  0.752  1.0
  O  O32  1  0.410  0.897  0.752  1.0
  O  O33  1  0.487  0.590  0.752  1.0
  O  O34  1  0.308  0.823  0.249  1.0
  O  O35  1  0.514  0.692  0.249  1.0
  O  O36  1  0.177  0.486  0.249  1.0
  O  O37  1  0.692  0.177  0.749  1.0
  O  O38  1  0.486  0.308  0.749  1.0
  O  O39  1  0.823  0.514  0.749  1.0
[/CIF]
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The structure described by NaAs3(PbO3)4 crystallizes in the hexagonal P6_3 space group. Na(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to three equivalent O(4) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Pb(1), one Pb(2), and one As(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one As(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one As(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Pb(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaAs3(PbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.227
_cell_length_b   10.227
_cell_length_c   7.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   674.225
_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
  Na  Na0  1  0.667  0.333  0.508  1.0
  Na  Na1  1  0.333  0.667  0.008  1.0
  As  As2  1  0.983  0.377  0.252  1.0
  As  As3  1  0.394  0.017  0.252  1.0
  As  As4  1  0.623  0.606  0.252  1.0
  As  As5  1  0.017  0.623  0.752  1.0
  As  As6  1  0.606  0.983  0.752  1.0
  As  As7  1  0.377  0.394  0.752  1.0
  Pb  Pb8  1  0.742  0.744  0.749  1.0
  Pb  Pb9  1  0.002  0.258  0.749  1.0
  Pb  Pb10  1  0.256  0.998  0.749  1.0
  Pb  Pb11  1  0.258  0.256  0.249  1.0
  Pb  Pb12  1  0.998  0.742  0.249  1.0
  Pb  Pb13  1  0.744  0.002  0.249  1.0
  Pb  Pb14  1  0.333  0.667  0.486  1.0
  Pb  Pb15  1  0.667  0.333  0.986  1.0
  O  O16  1  0.660  0.915  0.932  1.0
  O  O17  1  0.255  0.340  0.932  1.0
  O  O18  1  0.085  0.745  0.932  1.0
  O  O19  1  0.340  0.085  0.432  1.0
  O  O20  1  0.745  0.660  0.432  1.0
  O  O21  1  0.915  0.255  0.432  1.0
  O  O22  1  0.347  0.087  0.068  1.0
  O  O23  1  0.741  0.653  0.068  1.0
  O  O24  1  0.913  0.259  0.068  1.0
  O  O25  1  0.653  0.913  0.568  1.0
  O  O26  1  0.259  0.347  0.568  1.0
  O  O27  1  0.087  0.741  0.568  1.0
  O  O28  1  0.897  0.487  0.252  1.0
  O  O29  1  0.590  0.103  0.252  1.0
  O  O30  1  0.513  0.410  0.252  1.0
  O  O31  1  0.103  0.513  0.752  1.0
  O  O32  1  0.410  0.897  0.752  1.0
  O  O33  1  0.487  0.590  0.752  1.0
  O  O34  1  0.308  0.823  0.249  1.0
  O  O35  1  0.514  0.692  0.249  1.0
  O  O36  1  0.177  0.486  0.249  1.0
  O  O37  1  0.692  0.177  0.749  1.0
  O  O38  1  0.486  0.308  0.749  1.0
  O  O39  1  0.823  0.514  0.749  1.0
[/CIF]
.