The compound described by Na3PO4 is Enargite structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form NaO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent Na(1)O4 tetrahedra, and corners with four equivalent Na(3)O4 tetrahedra. In the third Na site, Na(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the fourth Na site, Na(4) is bonded to one O(1), one O(6), and two equivalent O(5) atoms to form NaO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent Na(1)O4 tetrahedra, and corners with four equivalent Na(3)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with four equivalent Na(1)O4 tetrahedra, and corners with four equivalent Na(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(6), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with four equivalent Na(1)O4 tetrahedra, and corners with four equivalent Na(3)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), two equivalent Na(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Na(2), two equivalent Na(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), two equivalent Na(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Na(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Na(4), two equivalent Na(3), and one P(2) atom. is represented by the CIF file [CIF]
data_Na3PO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.944
_cell_length_b   5.519
_cell_length_c   5.864
_cell_angle_alpha   89.115
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.714
_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  0.247  0.491  0.058  1.0
  Na  Na1  1  0.500  0.500  0.583  1.0
  Na  Na2  1  0.254  0.001  0.436  1.0
  Na  Na3  1  0.746  0.001  0.436  1.0
  Na  Na4  1  0.753  0.491  0.058  1.0
  Na  Na5  1  0.000  0.985  0.912  1.0
  P  P6  1  0.500  0.998  0.929  1.0
  P  P7  1  0.000  0.503  0.565  1.0
  O  O8  1  0.000  0.397  0.814  1.0
  O  O9  1  0.500  0.280  0.921  1.0
  O  O10  1  0.815  0.417  0.438  1.0
  O  O11  1  0.185  0.417  0.438  1.0
  O  O12  1  0.500  0.900  0.681  1.0
  O  O13  1  0.316  0.906  0.059  1.0
  O  O14  1  0.684  0.906  0.059  1.0
  O  O15  1  0.000  0.786  0.574  1.0
[/CIF]
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The compound described by Na3PO4 is Enargite structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form NaO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent Na(1)O4 tetrahedra, and corners with four equivalent Na(3)O4 tetrahedra. In the third Na site, Na(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the fourth Na site, Na(4) is bonded to one O(1), one O(6), and two equivalent O(5) atoms to form NaO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent Na(1)O4 tetrahedra, and corners with four equivalent Na(3)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with four equivalent Na(1)O4 tetrahedra, and corners with four equivalent Na(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(6), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with four equivalent Na(1)O4 tetrahedra, and corners with four equivalent Na(3)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), two equivalent Na(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Na(2), two equivalent Na(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), two equivalent Na(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Na(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Na(4), two equivalent Na(3), and one P(2) atom. is represented by the CIF file [CIF]
data_Na3PO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.944
_cell_length_b   5.519
_cell_length_c   5.864
_cell_angle_alpha   89.115
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.714
_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  0.247  0.491  0.058  1.0
  Na  Na1  1  0.500  0.500  0.583  1.0
  Na  Na2  1  0.254  0.001  0.436  1.0
  Na  Na3  1  0.746  0.001  0.436  1.0
  Na  Na4  1  0.753  0.491  0.058  1.0
  Na  Na5  1  0.000  0.985  0.912  1.0
  P  P6  1  0.500  0.998  0.929  1.0
  P  P7  1  0.000  0.503  0.565  1.0
  O  O8  1  0.000  0.397  0.814  1.0
  O  O9  1  0.500  0.280  0.921  1.0
  O  O10  1  0.815  0.417  0.438  1.0
  O  O11  1  0.185  0.417  0.438  1.0
  O  O12  1  0.500  0.900  0.681  1.0
  O  O13  1  0.316  0.906  0.059  1.0
  O  O14  1  0.684  0.906  0.059  1.0
  O  O15  1  0.000  0.786  0.574  1.0
[/CIF]
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