The material described by NaPO4 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(5), and two equivalent O(4) atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Na(1)O5 trigonal bipyramid. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent Na(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent Na(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Na(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Na(2) and one O(7) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Na(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.657
_cell_length_b   6.747
_cell_length_c   9.260
_cell_angle_alpha   100.853
_cell_angle_beta   98.746
_cell_angle_gamma   109.458
_symmetry_Int_Tables_number   1
_cell_volume   374.608
_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  0.871  0.463  0.146  1.0
  Na  Na1  1  0.129  0.537  0.854  1.0
  Na  Na2  1  0.649  0.315  0.398  1.0
  Na  Na3  1  0.351  0.685  0.602  1.0
  P  P4  1  0.278  0.247  0.087  1.0
  P  P5  1  0.722  0.753  0.913  1.0
  P  P6  1  0.931  0.998  0.230  1.0
  P  P7  1  0.069  0.002  0.770  1.0
  O  O8  1  0.932  0.810  0.297  1.0
  O  O9  1  0.068  0.190  0.703  1.0
  O  O10  1  0.905  0.196  0.318  1.0
  O  O11  1  0.095  0.804  0.682  1.0
  O  O12  1  0.157  0.066  0.173  1.0
  O  O13  1  0.843  0.934  0.827  1.0
  O  O14  1  0.153  0.391  0.065  1.0
  O  O15  1  0.847  0.609  0.935  1.0
  O  O16  1  0.514  0.341  0.168  1.0
  O  O17  1  0.486  0.659  0.832  1.0
  O  O18  1  0.740  0.911  0.075  1.0
  O  O19  1  0.260  0.089  0.925  1.0
  O  O20  1  0.468  0.937  0.436  1.0
  O  O21  1  0.532  0.063  0.564  1.0
  O  O22  1  0.268  0.306  0.529  1.0
  O  O23  1  0.732  0.694  0.471  1.0
[/CIF]
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The material described by NaPO4 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(5), and two equivalent O(4) atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Na(1)O5 trigonal bipyramid. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent Na(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent Na(1)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Na(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Na(2) and one O(7) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Na(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.657
_cell_length_b   6.747
_cell_length_c   9.260
_cell_angle_alpha   100.853
_cell_angle_beta   98.746
_cell_angle_gamma   109.458
_symmetry_Int_Tables_number   1
_cell_volume   374.608
_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  0.871  0.463  0.146  1.0
  Na  Na1  1  0.129  0.537  0.854  1.0
  Na  Na2  1  0.649  0.315  0.398  1.0
  Na  Na3  1  0.351  0.685  0.602  1.0
  P  P4  1  0.278  0.247  0.087  1.0
  P  P5  1  0.722  0.753  0.913  1.0
  P  P6  1  0.931  0.998  0.230  1.0
  P  P7  1  0.069  0.002  0.770  1.0
  O  O8  1  0.932  0.810  0.297  1.0
  O  O9  1  0.068  0.190  0.703  1.0
  O  O10  1  0.905  0.196  0.318  1.0
  O  O11  1  0.095  0.804  0.682  1.0
  O  O12  1  0.157  0.066  0.173  1.0
  O  O13  1  0.843  0.934  0.827  1.0
  O  O14  1  0.153  0.391  0.065  1.0
  O  O15  1  0.847  0.609  0.935  1.0
  O  O16  1  0.514  0.341  0.168  1.0
  O  O17  1  0.486  0.659  0.832  1.0
  O  O18  1  0.740  0.911  0.075  1.0
  O  O19  1  0.260  0.089  0.925  1.0
  O  O20  1  0.468  0.937  0.436  1.0
  O  O21  1  0.532  0.063  0.564  1.0
  O  O22  1  0.268  0.306  0.529  1.0
  O  O23  1  0.732  0.694  0.471  1.0
[/CIF]
.