The material structure described by Na3Al(OH)(HPO4)(PO4) crystallizes in the monoclinic C2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(7), and two equivalent O(4) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. Al(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form AlO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(5) and one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Na(2), two equivalent Na(1), and one P(1) atom. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(3), and one P(1) atom to form distorted corner-sharing ONa3P tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Al(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Al(1), and one P(2) atom. In the fifth O site, O(5) is bonded to two equivalent Na(1), one P(2), and one H(1) atom to form distorted edge-sharing ONa2PH tetrahedra. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(3), one P(2), and one H(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Na(2), two equivalent Al(1), and one H(2) atom. is represented by the CIF file [CIF]
data_Na3AlP2H2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   8.499
_cell_length_c   7.139
_cell_angle_alpha   83.970
_cell_angle_beta   83.970
_cell_angle_gamma   49.499
_symmetry_Int_Tables_number   1
_cell_volume   389.483
_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  0.765  0.235  0.000  1.0
  Na  Na1  1  0.235  0.765  0.000  1.0
  Na  Na2  1  0.610  0.610  0.291  1.0
  Na  Na3  1  0.390  0.390  0.709  1.0
  Na  Na4  1  0.000  0.500  0.500  1.0
  Na  Na5  1  0.500  0.000  0.500  1.0
  Al  Al6  1  0.000  0.500  0.000  1.0
  Al  Al7  1  0.500  0.000  0.000  1.0
  P  P8  1  0.377  0.377  0.226  1.0
  P  P9  1  0.623  0.623  0.774  1.0
  P  P10  1  0.120  0.120  0.290  1.0
  P  P11  1  0.880  0.880  0.710  1.0
  H  H12  1  0.062  0.062  0.596  1.0
  H  H13  1  0.938  0.938  0.404  1.0
  H  H14  1  0.193  0.193  0.825  1.0
  H  H15  1  0.807  0.807  0.175  1.0
  O  O16  1  0.476  0.476  0.213  1.0
  O  O17  1  0.524  0.524  0.787  1.0
  O  O18  1  0.334  0.334  0.430  1.0
  O  O19  1  0.666  0.666  0.570  1.0
  O  O20  1  0.168  0.528  0.119  1.0
  O  O21  1  0.528  0.168  0.119  1.0
  O  O22  1  0.832  0.472  0.881  1.0
  O  O23  1  0.472  0.832  0.881  1.0
  O  O24  1  0.990  0.351  0.223  1.0
  O  O25  1  0.351  0.990  0.223  1.0
  O  O26  1  0.010  0.649  0.777  1.0
  O  O27  1  0.649  0.010  0.777  1.0
  O  O28  1  0.026  0.026  0.241  1.0
  O  O29  1  0.974  0.974  0.759  1.0
  O  O30  1  0.121  0.121  0.516  1.0
  O  O31  1  0.879  0.879  0.484  1.0
  O  O32  1  0.243  0.243  0.895  1.0
  O  O33  1  0.757  0.757  0.105  1.0
[/CIF]
.
The material structure described by Na3Al(OH)(HPO4)(PO4) crystallizes in the monoclinic C2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(7), and two equivalent O(4) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. Al(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form AlO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(5) and one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Na(2), two equivalent Na(1), and one P(1) atom. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(3), and one P(1) atom to form distorted corner-sharing ONa3P tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Al(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Al(1), and one P(2) atom. In the fifth O site, O(5) is bonded to two equivalent Na(1), one P(2), and one H(1) atom to form distorted edge-sharing ONa2PH tetrahedra. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(3), one P(2), and one H(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Na(2), two equivalent Al(1), and one H(2) atom. is represented by the CIF file [CIF]
data_Na3AlP2H2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   8.499
_cell_length_c   7.139
_cell_angle_alpha   83.970
_cell_angle_beta   83.970
_cell_angle_gamma   49.499
_symmetry_Int_Tables_number   1
_cell_volume   389.483
_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  0.765  0.235  0.000  1.0
  Na  Na1  1  0.235  0.765  0.000  1.0
  Na  Na2  1  0.610  0.610  0.291  1.0
  Na  Na3  1  0.390  0.390  0.709  1.0
  Na  Na4  1  0.000  0.500  0.500  1.0
  Na  Na5  1  0.500  0.000  0.500  1.0
  Al  Al6  1  0.000  0.500  0.000  1.0
  Al  Al7  1  0.500  0.000  0.000  1.0
  P  P8  1  0.377  0.377  0.226  1.0
  P  P9  1  0.623  0.623  0.774  1.0
  P  P10  1  0.120  0.120  0.290  1.0
  P  P11  1  0.880  0.880  0.710  1.0
  H  H12  1  0.062  0.062  0.596  1.0
  H  H13  1  0.938  0.938  0.404  1.0
  H  H14  1  0.193  0.193  0.825  1.0
  H  H15  1  0.807  0.807  0.175  1.0
  O  O16  1  0.476  0.476  0.213  1.0
  O  O17  1  0.524  0.524  0.787  1.0
  O  O18  1  0.334  0.334  0.430  1.0
  O  O19  1  0.666  0.666  0.570  1.0
  O  O20  1  0.168  0.528  0.119  1.0
  O  O21  1  0.528  0.168  0.119  1.0
  O  O22  1  0.832  0.472  0.881  1.0
  O  O23  1  0.472  0.832  0.881  1.0
  O  O24  1  0.990  0.351  0.223  1.0
  O  O25  1  0.351  0.990  0.223  1.0
  O  O26  1  0.010  0.649  0.777  1.0
  O  O27  1  0.649  0.010  0.777  1.0
  O  O28  1  0.026  0.026  0.241  1.0
  O  O29  1  0.974  0.974  0.759  1.0
  O  O30  1  0.121  0.121  0.516  1.0
  O  O31  1  0.879  0.879  0.484  1.0
  O  O32  1  0.243  0.243  0.895  1.0
  O  O33  1  0.757  0.757  0.105  1.0
[/CIF]
.