The structure described by Na2PSe3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(1) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one P(1), two equivalent Se(2), and four equivalent Se(1) atoms. P(1) is bonded in a 3-coordinate geometry to one Na(2), one Se(2), and two equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Na(1), two equivalent Na(2), and one P(1) atom to form a mixture of distorted corner, face, and edge-sharing SeNa4P square pyramids. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Na2PSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.888
_cell_length_b   8.888
_cell_length_c   8.022
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.675
_symmetry_Int_Tables_number   1
_cell_volume   629.327
_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
  Na  Na0  1  0.722  0.778  0.250  1.0
  Na  Na1  1  0.778  0.722  0.750  1.0
  Na  Na2  1  0.185  0.815  0.156  1.0
  Na  Na3  1  0.815  0.185  0.844  1.0
  Na  Na4  1  0.222  0.278  0.250  1.0
  Na  Na5  1  0.685  0.315  0.344  1.0
  Na  Na6  1  0.315  0.685  0.656  1.0
  Na  Na7  1  0.278  0.222  0.750  1.0
  P  P8  1  0.922  0.078  0.446  1.0
  P  P9  1  0.422  0.578  0.054  1.0
  P  P10  1  0.078  0.922  0.554  1.0
  P  P11  1  0.578  0.422  0.946  1.0
  Se  Se12  1  0.999  0.307  0.533  1.0
  Se  Se13  1  0.693  0.001  0.533  1.0
  Se  Se14  1  0.947  0.053  0.176  1.0
  Se  Se15  1  0.193  0.501  0.967  1.0
  Se  Se16  1  0.499  0.807  0.967  1.0
  Se  Se17  1  0.307  0.999  0.467  1.0
  Se  Se18  1  0.553  0.447  0.676  1.0
  Se  Se19  1  0.447  0.553  0.324  1.0
  Se  Se20  1  0.807  0.499  0.033  1.0
  Se  Se21  1  0.501  0.193  0.033  1.0
  Se  Se22  1  0.001  0.693  0.467  1.0
  Se  Se23  1  0.053  0.947  0.824  1.0
[/CIF]
.
The structure described by Na2PSe3 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent Se(2) and four equivalent Se(1) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one P(1), two equivalent Se(2), and four equivalent Se(1) atoms. P(1) is bonded in a 3-coordinate geometry to one Na(2), one Se(2), and two equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Na(1), two equivalent Na(2), and one P(1) atom to form a mixture of distorted corner, face, and edge-sharing SeNa4P square pyramids. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Na2PSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.888
_cell_length_b   8.888
_cell_length_c   8.022
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.675
_symmetry_Int_Tables_number   1
_cell_volume   629.327
_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
  Na  Na0  1  0.722  0.778  0.250  1.0
  Na  Na1  1  0.778  0.722  0.750  1.0
  Na  Na2  1  0.185  0.815  0.156  1.0
  Na  Na3  1  0.815  0.185  0.844  1.0
  Na  Na4  1  0.222  0.278  0.250  1.0
  Na  Na5  1  0.685  0.315  0.344  1.0
  Na  Na6  1  0.315  0.685  0.656  1.0
  Na  Na7  1  0.278  0.222  0.750  1.0
  P  P8  1  0.922  0.078  0.446  1.0
  P  P9  1  0.422  0.578  0.054  1.0
  P  P10  1  0.078  0.922  0.554  1.0
  P  P11  1  0.578  0.422  0.946  1.0
  Se  Se12  1  0.999  0.307  0.533  1.0
  Se  Se13  1  0.693  0.001  0.533  1.0
  Se  Se14  1  0.947  0.053  0.176  1.0
  Se  Se15  1  0.193  0.501  0.967  1.0
  Se  Se16  1  0.499  0.807  0.967  1.0
  Se  Se17  1  0.307  0.999  0.467  1.0
  Se  Se18  1  0.553  0.447  0.676  1.0
  Se  Se19  1  0.447  0.553  0.324  1.0
  Se  Se20  1  0.807  0.499  0.033  1.0
  Se  Se21  1  0.501  0.193  0.033  1.0
  Se  Se22  1  0.001  0.693  0.467  1.0
  Se  Se23  1  0.053  0.947  0.824  1.0
[/CIF]
.