The structure described by NaZnAsO4 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form NaO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, corners with six equivalent As(1)O4 tetrahedra, and  a faceface with one Na(3)O6 octahedra. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. In the third Na site, Na(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra, edges with three equivalent Zn(1)O4 tetrahedra, and  a faceface with one Na(1)O6 octahedra. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent As(1)O4 tetrahedra, and  an edgeedge with one Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-72°. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, and corners with four equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-65°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(3), one Zn(1), and one As(1) atom. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Zn(1), and one As(1) atom to form distorted edge-sharing ONa2ZnAs trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(2), one Zn(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Zn(1), and one As(1) atom. is represented by the CIF file [CIF]
data_NaZnAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.955
_cell_length_b   8.955
_cell_length_c   8.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   566.610
_cell_formula_units_Z   6
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  0.333  0.667  0.688  1.0
  Na  Na1  1  0.667  0.333  0.188  1.0
  Na  Na2  1  0.000  0.000  0.201  1.0
  Na  Na3  1  0.000  0.000  0.701  1.0
  Na  Na4  1  0.333  0.667  0.277  1.0
  Na  Na5  1  0.667  0.333  0.777  1.0
  Zn  Zn6  1  0.661  0.985  0.395  1.0
  Zn  Zn7  1  0.676  0.661  0.895  1.0
  Zn  Zn8  1  0.985  0.324  0.895  1.0
  Zn  Zn9  1  0.339  0.015  0.895  1.0
  Zn  Zn10  1  0.324  0.339  0.395  1.0
  Zn  Zn11  1  0.015  0.676  0.395  1.0
  As  As12  1  0.687  0.658  0.501  1.0
  As  As13  1  0.029  0.687  0.001  1.0
  As  As14  1  0.658  0.971  0.001  1.0
  As  As15  1  0.342  0.029  0.501  1.0
  As  As16  1  0.971  0.313  0.501  1.0
  As  As17  1  0.313  0.342  0.001  1.0
  O  O18  1  0.603  0.865  0.183  1.0
  O  O19  1  0.899  0.469  0.981  1.0
  O  O20  1  0.570  0.101  0.981  1.0
  O  O21  1  0.430  0.899  0.481  1.0
  O  O22  1  0.101  0.531  0.481  1.0
  O  O23  1  0.531  0.430  0.981  1.0
  O  O24  1  0.780  0.876  0.496  1.0
  O  O25  1  0.904  0.780  0.996  1.0
  O  O26  1  0.876  0.096  0.996  1.0
  O  O27  1  0.124  0.904  0.496  1.0
  O  O28  1  0.096  0.220  0.496  1.0
  O  O29  1  0.220  0.124  0.996  1.0
  O  O30  1  0.229  0.413  0.854  1.0
  O  O31  1  0.815  0.229  0.354  1.0
  O  O32  1  0.738  0.603  0.683  1.0
  O  O33  1  0.587  0.815  0.854  1.0
  O  O34  1  0.185  0.771  0.854  1.0
  O  O35  1  0.771  0.587  0.354  1.0
  O  O36  1  0.262  0.397  0.183  1.0
  O  O37  1  0.865  0.262  0.683  1.0
  O  O38  1  0.397  0.135  0.683  1.0
  O  O39  1  0.413  0.185  0.354  1.0
  O  O40  1  0.135  0.738  0.183  1.0
  O  O41  1  0.469  0.570  0.481  1.0
[/CIF]
.
The structure described by NaZnAsO4 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form NaO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, corners with six equivalent As(1)O4 tetrahedra, and  a faceface with one Na(3)O6 octahedra. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. In the third Na site, Na(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra, edges with three equivalent Zn(1)O4 tetrahedra, and  a faceface with one Na(1)O6 octahedra. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent As(1)O4 tetrahedra, and  an edgeedge with one Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-72°. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, and corners with four equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-65°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(3), one Zn(1), and one As(1) atom. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Zn(1), and one As(1) atom to form distorted edge-sharing ONa2ZnAs trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(2), one Zn(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Zn(1), and one As(1) atom. is represented by the CIF file [CIF]
data_NaZnAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.955
_cell_length_b   8.955
_cell_length_c   8.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   566.610
_cell_formula_units_Z   6
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  0.333  0.667  0.688  1.0
  Na  Na1  1  0.667  0.333  0.188  1.0
  Na  Na2  1  0.000  0.000  0.201  1.0
  Na  Na3  1  0.000  0.000  0.701  1.0
  Na  Na4  1  0.333  0.667  0.277  1.0
  Na  Na5  1  0.667  0.333  0.777  1.0
  Zn  Zn6  1  0.661  0.985  0.395  1.0
  Zn  Zn7  1  0.676  0.661  0.895  1.0
  Zn  Zn8  1  0.985  0.324  0.895  1.0
  Zn  Zn9  1  0.339  0.015  0.895  1.0
  Zn  Zn10  1  0.324  0.339  0.395  1.0
  Zn  Zn11  1  0.015  0.676  0.395  1.0
  As  As12  1  0.687  0.658  0.501  1.0
  As  As13  1  0.029  0.687  0.001  1.0
  As  As14  1  0.658  0.971  0.001  1.0
  As  As15  1  0.342  0.029  0.501  1.0
  As  As16  1  0.971  0.313  0.501  1.0
  As  As17  1  0.313  0.342  0.001  1.0
  O  O18  1  0.603  0.865  0.183  1.0
  O  O19  1  0.899  0.469  0.981  1.0
  O  O20  1  0.570  0.101  0.981  1.0
  O  O21  1  0.430  0.899  0.481  1.0
  O  O22  1  0.101  0.531  0.481  1.0
  O  O23  1  0.531  0.430  0.981  1.0
  O  O24  1  0.780  0.876  0.496  1.0
  O  O25  1  0.904  0.780  0.996  1.0
  O  O26  1  0.876  0.096  0.996  1.0
  O  O27  1  0.124  0.904  0.496  1.0
  O  O28  1  0.096  0.220  0.496  1.0
  O  O29  1  0.220  0.124  0.996  1.0
  O  O30  1  0.229  0.413  0.854  1.0
  O  O31  1  0.815  0.229  0.354  1.0
  O  O32  1  0.738  0.603  0.683  1.0
  O  O33  1  0.587  0.815  0.854  1.0
  O  O34  1  0.185  0.771  0.854  1.0
  O  O35  1  0.771  0.587  0.354  1.0
  O  O36  1  0.262  0.397  0.183  1.0
  O  O37  1  0.865  0.262  0.683  1.0
  O  O38  1  0.397  0.135  0.683  1.0
  O  O39  1  0.413  0.185  0.354  1.0
  O  O40  1  0.135  0.738  0.183  1.0
  O  O41  1  0.469  0.570  0.481  1.0
[/CIF]
.