The structure described by NaZnO3 crystallizes in the tetragonal P4_2/mbc space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. Zn(1) is bonded to one O(2), one O(3), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing ZnO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Zn(1), and two equivalent O(3) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Na(1) and three equivalent Zn(1) atoms. In the third O site, O(2) is bonded to three equivalent Na(1) and one Zn(1) atom to form corner-sharing ONa3Zn tetrahedra. is represented by the CIF card [CIF]
data_NaZnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.781
_cell_length_b   12.781
_cell_length_c   3.590
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   586.523
_cell_formula_units_Z   8
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  0.143  0.139  0.500  1.0
  Na  Na1  1  0.861  0.143  0.000  1.0
  Na  Na2  1  0.643  0.361  0.500  1.0
  Na  Na3  1  0.639  0.643  0.000  1.0
  Na  Na4  1  0.857  0.861  0.500  1.0
  Na  Na5  1  0.139  0.857  0.000  1.0
  Na  Na6  1  0.357  0.639  0.500  1.0
  Na  Na7  1  0.361  0.357  0.000  1.0
  Zn  Zn8  1  0.472  0.173  0.500  1.0
  Zn  Zn9  1  0.827  0.472  0.000  1.0
  Zn  Zn10  1  0.972  0.327  0.500  1.0
  Zn  Zn11  1  0.673  0.972  0.000  1.0
  Zn  Zn12  1  0.528  0.827  0.500  1.0
  Zn  Zn13  1  0.173  0.528  0.000  1.0
  Zn  Zn14  1  0.028  0.673  0.500  1.0
  Zn  Zn15  1  0.327  0.028  0.000  1.0
  O  O16  1  0.347  0.069  0.500  1.0
  O  O17  1  0.931  0.347  0.000  1.0
  O  O18  1  0.847  0.431  0.500  1.0
  O  O19  1  0.569  0.847  0.000  1.0
  O  O20  1  0.653  0.931  0.500  1.0
  O  O21  1  0.069  0.653  0.000  1.0
  O  O22  1  0.153  0.569  0.500  1.0
  O  O23  1  0.431  0.153  0.000  1.0
  O  O24  1  0.468  0.324  0.500  1.0
  O  O25  1  0.676  0.468  0.000  1.0
  O  O26  1  0.968  0.176  0.500  1.0
  O  O27  1  0.824  0.968  0.000  1.0
  O  O28  1  0.532  0.676  0.500  1.0
  O  O29  1  0.324  0.532  0.000  1.0
  O  O30  1  0.032  0.824  0.500  1.0
  O  O31  1  0.176  0.032  0.000  1.0
  O  O32  1  0.135  0.338  0.500  1.0
  O  O33  1  0.662  0.135  0.000  1.0
  O  O34  1  0.635  0.162  0.500  1.0
  O  O35  1  0.838  0.635  0.000  1.0
  O  O36  1  0.865  0.662  0.500  1.0
  O  O37  1  0.338  0.865  0.000  1.0
  O  O38  1  0.365  0.838  0.500  1.0
  O  O39  1  0.162  0.365  0.000  1.0
[/CIF]
.
The structure described by NaZnO3 crystallizes in the tetragonal P4_2/mbc space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. Zn(1) is bonded to one O(2), one O(3), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing ZnO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Zn(1), and two equivalent O(3) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Na(1) and three equivalent Zn(1) atoms. In the third O site, O(2) is bonded to three equivalent Na(1) and one Zn(1) atom to form corner-sharing ONa3Zn tetrahedra. is represented by the CIF card [CIF]
data_NaZnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.781
_cell_length_b   12.781
_cell_length_c   3.590
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   586.523
_cell_formula_units_Z   8
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  0.143  0.139  0.500  1.0
  Na  Na1  1  0.861  0.143  0.000  1.0
  Na  Na2  1  0.643  0.361  0.500  1.0
  Na  Na3  1  0.639  0.643  0.000  1.0
  Na  Na4  1  0.857  0.861  0.500  1.0
  Na  Na5  1  0.139  0.857  0.000  1.0
  Na  Na6  1  0.357  0.639  0.500  1.0
  Na  Na7  1  0.361  0.357  0.000  1.0
  Zn  Zn8  1  0.472  0.173  0.500  1.0
  Zn  Zn9  1  0.827  0.472  0.000  1.0
  Zn  Zn10  1  0.972  0.327  0.500  1.0
  Zn  Zn11  1  0.673  0.972  0.000  1.0
  Zn  Zn12  1  0.528  0.827  0.500  1.0
  Zn  Zn13  1  0.173  0.528  0.000  1.0
  Zn  Zn14  1  0.028  0.673  0.500  1.0
  Zn  Zn15  1  0.327  0.028  0.000  1.0
  O  O16  1  0.347  0.069  0.500  1.0
  O  O17  1  0.931  0.347  0.000  1.0
  O  O18  1  0.847  0.431  0.500  1.0
  O  O19  1  0.569  0.847  0.000  1.0
  O  O20  1  0.653  0.931  0.500  1.0
  O  O21  1  0.069  0.653  0.000  1.0
  O  O22  1  0.153  0.569  0.500  1.0
  O  O23  1  0.431  0.153  0.000  1.0
  O  O24  1  0.468  0.324  0.500  1.0
  O  O25  1  0.676  0.468  0.000  1.0
  O  O26  1  0.968  0.176  0.500  1.0
  O  O27  1  0.824  0.968  0.000  1.0
  O  O28  1  0.532  0.676  0.500  1.0
  O  O29  1  0.324  0.532  0.000  1.0
  O  O30  1  0.032  0.824  0.500  1.0
  O  O31  1  0.176  0.032  0.000  1.0
  O  O32  1  0.135  0.338  0.500  1.0
  O  O33  1  0.662  0.135  0.000  1.0
  O  O34  1  0.635  0.162  0.500  1.0
  O  O35  1  0.838  0.635  0.000  1.0
  O  O36  1  0.865  0.662  0.500  1.0
  O  O37  1  0.338  0.865  0.000  1.0
  O  O38  1  0.365  0.838  0.500  1.0
  O  O39  1  0.162  0.365  0.000  1.0
[/CIF]
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