The structure described by Na2PH3O5 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form NaO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and  an edgeedge with one Na(1)O6 octahedra. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one P(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one P(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2PH3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.768
_cell_length_c   8.052
_cell_angle_alpha   104.268
_cell_angle_beta   108.556
_cell_angle_gamma   101.689
_symmetry_Int_Tables_number   1
_cell_volume   230.952
_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  0.484  0.334  0.786  1.0
  Na  Na1  1  0.516  0.666  0.214  1.0
  Na  Na2  1  0.264  0.723  0.563  1.0
  Na  Na3  1  0.736  0.277  0.437  1.0
  P  P4  1  0.129  0.087  0.293  1.0
  P  P5  1  0.871  0.913  0.707  1.0
  H  H6  1  0.250  0.139  0.060  1.0
  H  H7  1  0.750  0.861  0.940  1.0
  H  H8  1  0.198  0.714  0.883  1.0
  H  H9  1  0.802  0.286  0.117  1.0
  H  H10  1  0.058  0.426  0.845  1.0
  H  H11  1  0.942  0.574  0.155  1.0
  O  O12  1  0.193  0.287  0.479  1.0
  O  O13  1  0.807  0.713  0.521  1.0
  O  O14  1  0.835  0.012  0.166  1.0
  O  O15  1  0.165  0.988  0.834  1.0
  O  O16  1  0.220  0.858  0.310  1.0
  O  O17  1  0.780  0.142  0.690  1.0
  O  O18  1  0.298  0.231  0.197  1.0
  O  O19  1  0.702  0.769  0.803  1.0
  O  O20  1  0.230  0.558  0.903  1.0
  O  O21  1  0.770  0.442  0.097  1.0
[/CIF]
.
The structure described by Na2PH3O5 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form NaO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and  an edgeedge with one Na(1)O6 octahedra. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one P(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one P(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2PH3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.768
_cell_length_c   8.052
_cell_angle_alpha   104.268
_cell_angle_beta   108.556
_cell_angle_gamma   101.689
_symmetry_Int_Tables_number   1
_cell_volume   230.952
_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  0.484  0.334  0.786  1.0
  Na  Na1  1  0.516  0.666  0.214  1.0
  Na  Na2  1  0.264  0.723  0.563  1.0
  Na  Na3  1  0.736  0.277  0.437  1.0
  P  P4  1  0.129  0.087  0.293  1.0
  P  P5  1  0.871  0.913  0.707  1.0
  H  H6  1  0.250  0.139  0.060  1.0
  H  H7  1  0.750  0.861  0.940  1.0
  H  H8  1  0.198  0.714  0.883  1.0
  H  H9  1  0.802  0.286  0.117  1.0
  H  H10  1  0.058  0.426  0.845  1.0
  H  H11  1  0.942  0.574  0.155  1.0
  O  O12  1  0.193  0.287  0.479  1.0
  O  O13  1  0.807  0.713  0.521  1.0
  O  O14  1  0.835  0.012  0.166  1.0
  O  O15  1  0.165  0.988  0.834  1.0
  O  O16  1  0.220  0.858  0.310  1.0
  O  O17  1  0.780  0.142  0.690  1.0
  O  O18  1  0.298  0.231  0.197  1.0
  O  O19  1  0.702  0.769  0.803  1.0
  O  O20  1  0.230  0.558  0.903  1.0
  O  O21  1  0.770  0.442  0.097  1.0
[/CIF]
.