The crystal structure described by Na4AlZnP3O12 crystallizes in the trigonal R3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. Zn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Al(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form AlO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. 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 two equivalent Zn(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Zn(1), and one P(1) atom to form distorted face-sharing ONa3ZnP trigonal bipyramids. In the second O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Al(1), and one P(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Zn(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Al(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na4AlZn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.822
_cell_length_b   8.822
_cell_length_c   8.822
_cell_angle_alpha   60.499
_cell_angle_beta   60.499
_cell_angle_gamma   60.499
_symmetry_Int_Tables_number   1
_cell_volume   491.020
_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
  Al  Al0  1  0.649  0.649  0.649  1.0
  Al  Al1  1  0.149  0.149  0.149  1.0
  Na  Na2  1  0.887  0.618  0.240  1.0
  Na  Na3  1  0.618  0.240  0.887  1.0
  Na  Na4  1  0.240  0.887  0.618  1.0
  Na  Na5  1  0.387  0.740  0.118  1.0
  Na  Na6  1  0.740  0.118  0.387  1.0
  Na  Na7  1  0.118  0.387  0.740  1.0
  Na  Na8  1  0.497  0.497  0.497  1.0
  Na  Na9  1  0.997  0.997  0.997  1.0
  O  O10  1  0.526  0.121  0.282  1.0
  O  O11  1  0.121  0.282  0.526  1.0
  O  O12  1  0.282  0.526  0.121  1.0
  O  O13  1  0.026  0.782  0.621  1.0
  O  O14  1  0.782  0.621  0.026  1.0
  O  O15  1  0.621  0.026  0.782  1.0
  O  O16  1  0.488  0.863  0.728  1.0
  O  O17  1  0.863  0.728  0.488  1.0
  O  O18  1  0.728  0.488  0.863  1.0
  O  O19  1  0.988  0.228  0.363  1.0
  O  O20  1  0.228  0.363  0.988  1.0
  O  O21  1  0.363  0.988  0.228  1.0
  O  O22  1  0.422  0.220  0.593  1.0
  O  O23  1  0.220  0.593  0.422  1.0
  O  O24  1  0.593  0.422  0.220  1.0
  O  O25  1  0.922  0.093  0.720  1.0
  O  O26  1  0.093  0.720  0.922  1.0
  O  O27  1  0.720  0.922  0.093  1.0
  O  O28  1  0.558  0.776  0.433  1.0
  O  O29  1  0.776  0.433  0.558  1.0
  O  O30  1  0.433  0.558  0.776  1.0
  O  O31  1  0.058  0.933  0.276  1.0
  O  O32  1  0.933  0.276  0.058  1.0
  O  O33  1  0.276  0.058  0.933  1.0
  P  P34  1  0.541  0.954  0.257  1.0
  P  P35  1  0.954  0.257  0.541  1.0
  P  P36  1  0.257  0.541  0.954  1.0
  P  P37  1  0.041  0.757  0.454  1.0
  P  P38  1  0.757  0.454  0.041  1.0
  P  P39  1  0.454  0.041  0.757  1.0
  Zn  Zn40  1  0.347  0.347  0.347  1.0
  Zn  Zn41  1  0.847  0.847  0.847  1.0
[/CIF]
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The crystal structure described by Na4AlZnP3O12 crystallizes in the trigonal R3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to three equivalent O(3) and three equivalent O(4) atoms. Zn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Al(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form AlO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. 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 two equivalent Zn(1)O6 octahedra and corners with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. There are four inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Zn(1), and one P(1) atom to form distorted face-sharing ONa3ZnP trigonal bipyramids. In the second O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Al(1), and one P(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Zn(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Al(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na4AlZn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.822
_cell_length_b   8.822
_cell_length_c   8.822
_cell_angle_alpha   60.499
_cell_angle_beta   60.499
_cell_angle_gamma   60.499
_symmetry_Int_Tables_number   1
_cell_volume   491.020
_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
  Al  Al0  1  0.649  0.649  0.649  1.0
  Al  Al1  1  0.149  0.149  0.149  1.0
  Na  Na2  1  0.887  0.618  0.240  1.0
  Na  Na3  1  0.618  0.240  0.887  1.0
  Na  Na4  1  0.240  0.887  0.618  1.0
  Na  Na5  1  0.387  0.740  0.118  1.0
  Na  Na6  1  0.740  0.118  0.387  1.0
  Na  Na7  1  0.118  0.387  0.740  1.0
  Na  Na8  1  0.497  0.497  0.497  1.0
  Na  Na9  1  0.997  0.997  0.997  1.0
  O  O10  1  0.526  0.121  0.282  1.0
  O  O11  1  0.121  0.282  0.526  1.0
  O  O12  1  0.282  0.526  0.121  1.0
  O  O13  1  0.026  0.782  0.621  1.0
  O  O14  1  0.782  0.621  0.026  1.0
  O  O15  1  0.621  0.026  0.782  1.0
  O  O16  1  0.488  0.863  0.728  1.0
  O  O17  1  0.863  0.728  0.488  1.0
  O  O18  1  0.728  0.488  0.863  1.0
  O  O19  1  0.988  0.228  0.363  1.0
  O  O20  1  0.228  0.363  0.988  1.0
  O  O21  1  0.363  0.988  0.228  1.0
  O  O22  1  0.422  0.220  0.593  1.0
  O  O23  1  0.220  0.593  0.422  1.0
  O  O24  1  0.593  0.422  0.220  1.0
  O  O25  1  0.922  0.093  0.720  1.0
  O  O26  1  0.093  0.720  0.922  1.0
  O  O27  1  0.720  0.922  0.093  1.0
  O  O28  1  0.558  0.776  0.433  1.0
  O  O29  1  0.776  0.433  0.558  1.0
  O  O30  1  0.433  0.558  0.776  1.0
  O  O31  1  0.058  0.933  0.276  1.0
  O  O32  1  0.933  0.276  0.058  1.0
  O  O33  1  0.276  0.058  0.933  1.0
  P  P34  1  0.541  0.954  0.257  1.0
  P  P35  1  0.954  0.257  0.541  1.0
  P  P36  1  0.257  0.541  0.954  1.0
  P  P37  1  0.041  0.757  0.454  1.0
  P  P38  1  0.757  0.454  0.041  1.0
  P  P39  1  0.454  0.041  0.757  1.0
  Zn  Zn40  1  0.347  0.347  0.347  1.0
  Zn  Zn41  1  0.847  0.847  0.847  1.0
[/CIF]
.