The structure described by Na5Al(PO4)2F2 crystallizes in the trigonal P-3 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(4) and three equivalent F(1) atoms to form NaO3F3 octahedra that share corners with three equivalent Al(1)O4F2 octahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with three equivalent Na(4)O4F2 octahedra. The corner-sharing octahedral tilt angles are 28°. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent F(1) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and one F(1) atom. In the fourth Na site, Na(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form NaO4F2 octahedra that share corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Na(1)O3F3 octahedra, and edges with two equivalent Al(1)O4F2 octahedra. In the fifth Na site, Na(5) is bonded to six equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and faces with two equivalent Na(6)O6 octahedra. In the sixth Na site, Na(6) is bonded to six equivalent O(3) atoms to form NaO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and faces with two equivalent Na(5)O6 octahedra. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form AlO4F2 octahedra that share corners with two equivalent Na(1)O3F3 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Na(4)O4F2 octahedra. The corner-sharing octahedral tilt angles are 28°. 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  a cornercorner with one Na(1)O3F3 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra, corners with two equivalent Na(4)O4F2 octahedra, and corners with two equivalent Al(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 31-68°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Na(3), one Al(1), and one P(1) atom to form distorted corner-sharing ONa2AlP trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Al(1), and one P(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), two equivalent Na(3), and one P(1) atom. In the fourth O site, O(4) 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. F(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one Al(1) atom. is represented by the CIF card [CIF]
data_Na5AlP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.586
_cell_length_b   10.586
_cell_length_c   6.675
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   647.726
_cell_formula_units_Z   3
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  0.667  0.333  0.917  1.0
  Na  Na1  1  0.333  0.667  0.527  1.0
  Na  Na2  1  0.169  0.853  0.266  1.0
  Na  Na3  1  0.147  0.316  0.266  1.0
  Na  Na4  1  0.831  0.147  0.734  1.0
  Na  Na5  1  0.853  0.684  0.734  1.0
  Na  Na6  1  0.684  0.831  0.266  1.0
  Na  Na7  1  0.000  0.500  0.000  1.0
  Na  Na8  1  0.667  0.333  0.473  1.0
  Na  Na9  1  0.316  0.169  0.734  1.0
  Na  Na10  1  0.000  0.000  0.000  1.0
  Na  Na11  1  0.333  0.667  0.083  1.0
  Na  Na12  1  0.500  0.000  0.000  1.0
  Na  Na13  1  0.000  0.000  0.500  1.0
  Na  Na14  1  0.500  0.500  0.000  1.0
  Al  Al15  1  0.500  0.500  0.500  1.0
  Al  Al16  1  0.500  0.000  0.500  1.0
  Al  Al17  1  0.000  0.500  0.500  1.0
  P  P18  1  0.814  0.184  0.251  1.0
  P  P19  1  0.371  0.186  0.251  1.0
  P  P20  1  0.629  0.814  0.749  1.0
  P  P21  1  0.186  0.816  0.749  1.0
  P  P22  1  0.816  0.629  0.251  1.0
  P  P23  1  0.184  0.371  0.749  1.0
  O  O24  1  0.569  0.696  0.579  1.0
  O  O25  1  0.430  0.080  0.300  1.0
  O  O26  1  0.127  0.431  0.579  1.0
  O  O27  1  0.696  0.127  0.421  1.0
  O  O28  1  0.570  0.920  0.700  1.0
  O  O29  1  0.901  0.798  0.256  1.0
  O  O30  1  0.431  0.256  0.045  1.0
  O  O31  1  0.080  0.650  0.700  1.0
  O  O32  1  0.569  0.744  0.955  1.0
  O  O33  1  0.897  0.099  0.256  1.0
  O  O34  1  0.103  0.901  0.744  1.0
  O  O35  1  0.650  0.570  0.300  1.0
  O  O36  1  0.202  0.103  0.256  1.0
  O  O37  1  0.873  0.569  0.421  1.0
  O  O38  1  0.920  0.350  0.300  1.0
  O  O39  1  0.304  0.873  0.579  1.0
  O  O40  1  0.744  0.175  0.045  1.0
  O  O41  1  0.431  0.304  0.421  1.0
  O  O42  1  0.256  0.825  0.955  1.0
  O  O43  1  0.099  0.202  0.744  1.0
  O  O44  1  0.825  0.569  0.045  1.0
  O  O45  1  0.798  0.897  0.744  1.0
  O  O46  1  0.350  0.430  0.700  1.0
  O  O47  1  0.175  0.431  0.955  1.0
  F  F48  1  0.863  0.385  0.690  1.0
  F  F49  1  0.615  0.478  0.690  1.0
  F  F50  1  0.385  0.522  0.310  1.0
  F  F51  1  0.478  0.863  0.310  1.0
  F  F52  1  0.522  0.137  0.690  1.0
  F  F53  1  0.137  0.615  0.310  1.0
[/CIF]
.
The structure described by Na5Al(PO4)2F2 crystallizes in the trigonal P-3 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(4) and three equivalent F(1) atoms to form NaO3F3 octahedra that share corners with three equivalent Al(1)O4F2 octahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with three equivalent Na(4)O4F2 octahedra. The corner-sharing octahedral tilt angles are 28°. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent F(1) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and one F(1) atom. In the fourth Na site, Na(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form NaO4F2 octahedra that share corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Na(1)O3F3 octahedra, and edges with two equivalent Al(1)O4F2 octahedra. In the fifth Na site, Na(5) is bonded to six equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and faces with two equivalent Na(6)O6 octahedra. In the sixth Na site, Na(6) is bonded to six equivalent O(3) atoms to form NaO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and faces with two equivalent Na(5)O6 octahedra. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form AlO4F2 octahedra that share corners with two equivalent Na(1)O3F3 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Na(4)O4F2 octahedra. The corner-sharing octahedral tilt angles are 28°. 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  a cornercorner with one Na(1)O3F3 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra, corners with two equivalent Na(4)O4F2 octahedra, and corners with two equivalent Al(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 31-68°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Na(3), one Al(1), and one P(1) atom to form distorted corner-sharing ONa2AlP trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Al(1), and one P(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), two equivalent Na(3), and one P(1) atom. In the fourth O site, O(4) 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. F(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one Al(1) atom. is represented by the CIF card [CIF]
data_Na5AlP2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.586
_cell_length_b   10.586
_cell_length_c   6.675
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   647.726
_cell_formula_units_Z   3
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  0.667  0.333  0.917  1.0
  Na  Na1  1  0.333  0.667  0.527  1.0
  Na  Na2  1  0.169  0.853  0.266  1.0
  Na  Na3  1  0.147  0.316  0.266  1.0
  Na  Na4  1  0.831  0.147  0.734  1.0
  Na  Na5  1  0.853  0.684  0.734  1.0
  Na  Na6  1  0.684  0.831  0.266  1.0
  Na  Na7  1  0.000  0.500  0.000  1.0
  Na  Na8  1  0.667  0.333  0.473  1.0
  Na  Na9  1  0.316  0.169  0.734  1.0
  Na  Na10  1  0.000  0.000  0.000  1.0
  Na  Na11  1  0.333  0.667  0.083  1.0
  Na  Na12  1  0.500  0.000  0.000  1.0
  Na  Na13  1  0.000  0.000  0.500  1.0
  Na  Na14  1  0.500  0.500  0.000  1.0
  Al  Al15  1  0.500  0.500  0.500  1.0
  Al  Al16  1  0.500  0.000  0.500  1.0
  Al  Al17  1  0.000  0.500  0.500  1.0
  P  P18  1  0.814  0.184  0.251  1.0
  P  P19  1  0.371  0.186  0.251  1.0
  P  P20  1  0.629  0.814  0.749  1.0
  P  P21  1  0.186  0.816  0.749  1.0
  P  P22  1  0.816  0.629  0.251  1.0
  P  P23  1  0.184  0.371  0.749  1.0
  O  O24  1  0.569  0.696  0.579  1.0
  O  O25  1  0.430  0.080  0.300  1.0
  O  O26  1  0.127  0.431  0.579  1.0
  O  O27  1  0.696  0.127  0.421  1.0
  O  O28  1  0.570  0.920  0.700  1.0
  O  O29  1  0.901  0.798  0.256  1.0
  O  O30  1  0.431  0.256  0.045  1.0
  O  O31  1  0.080  0.650  0.700  1.0
  O  O32  1  0.569  0.744  0.955  1.0
  O  O33  1  0.897  0.099  0.256  1.0
  O  O34  1  0.103  0.901  0.744  1.0
  O  O35  1  0.650  0.570  0.300  1.0
  O  O36  1  0.202  0.103  0.256  1.0
  O  O37  1  0.873  0.569  0.421  1.0
  O  O38  1  0.920  0.350  0.300  1.0
  O  O39  1  0.304  0.873  0.579  1.0
  O  O40  1  0.744  0.175  0.045  1.0
  O  O41  1  0.431  0.304  0.421  1.0
  O  O42  1  0.256  0.825  0.955  1.0
  O  O43  1  0.099  0.202  0.744  1.0
  O  O44  1  0.825  0.569  0.045  1.0
  O  O45  1  0.798  0.897  0.744  1.0
  O  O46  1  0.350  0.430  0.700  1.0
  O  O47  1  0.175  0.431  0.955  1.0
  F  F48  1  0.863  0.385  0.690  1.0
  F  F49  1  0.615  0.478  0.690  1.0
  F  F50  1  0.385  0.522  0.310  1.0
  F  F51  1  0.478  0.863  0.310  1.0
  F  F52  1  0.522  0.137  0.690  1.0
  F  F53  1  0.137  0.615  0.310  1.0
[/CIF]
.