The crystal structure described by Na3PO4 crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. P(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(2), four equivalent Na(1), and one P(1) atom. In the second O site, O(2) is bonded to one Na(2), four equivalent Na(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing ONa5P octahedra. The corner-sharing octahedral tilt angles range from 0-14°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3PO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.252
_cell_length_b   5.252
_cell_length_c   7.892
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.652
_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  0.000  0.500  0.750  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.500  0.000  0.750  1.0
  Na  Na3  1  0.500  0.000  0.250  1.0
  Na  Na4  1  0.000  0.500  0.250  1.0
  Na  Na5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.000  0.000  0.000  1.0
  P  P7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.717  0.283  0.500  1.0
  O  O9  1  0.217  0.217  0.000  1.0
  O  O10  1  0.500  0.500  0.292  1.0
  O  O11  1  0.500  0.500  0.708  1.0
  O  O12  1  0.783  0.783  0.000  1.0
  O  O13  1  0.000  0.000  0.792  1.0
  O  O14  1  0.000  0.000  0.208  1.0
  O  O15  1  0.283  0.717  0.500  1.0
[/CIF]
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The crystal structure described by Na3PO4 crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. P(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Na(2), four equivalent Na(1), and one P(1) atom. In the second O site, O(2) is bonded to one Na(2), four equivalent Na(1), and one P(1) atom to form a mixture of distorted corner and edge-sharing ONa5P octahedra. The corner-sharing octahedral tilt angles range from 0-14°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3PO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.252
_cell_length_b   5.252
_cell_length_c   7.892
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.652
_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  0.000  0.500  0.750  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.500  0.000  0.750  1.0
  Na  Na3  1  0.500  0.000  0.250  1.0
  Na  Na4  1  0.000  0.500  0.250  1.0
  Na  Na5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.000  0.000  0.000  1.0
  P  P7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.717  0.283  0.500  1.0
  O  O9  1  0.217  0.217  0.000  1.0
  O  O10  1  0.500  0.500  0.292  1.0
  O  O11  1  0.500  0.500  0.708  1.0
  O  O12  1  0.783  0.783  0.000  1.0
  O  O13  1  0.000  0.000  0.792  1.0
  O  O14  1  0.000  0.000  0.208  1.0
  O  O15  1  0.283  0.717  0.500  1.0
[/CIF]
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