The crystal structure described by Na2Zn2O3 is Aluminum carbonitride-like structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Zn(1) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing ZnO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent Zn(1) atoms to form corner-sharing ONa4Zn2 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1) and three equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Na2Zn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.926
_cell_length_c   5.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.238
_symmetry_Int_Tables_number   1
_cell_volume   177.532
_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  0.864  0.098  0.344  1.0
  Na  Na1  1  0.864  0.598  0.156  1.0
  Na  Na2  1  0.136  0.902  0.656  1.0
  Na  Na3  1  0.136  0.402  0.844  1.0
  Zn  Zn4  1  0.341  0.079  0.123  1.0
  Zn  Zn5  1  0.341  0.579  0.377  1.0
  Zn  Zn6  1  0.659  0.921  0.877  1.0
  Zn  Zn7  1  0.659  0.421  0.623  1.0
  O  O8  1  0.000  0.500  0.500  1.0
  O  O9  1  0.644  0.757  0.587  1.0
  O  O10  1  0.356  0.743  0.087  1.0
  O  O11  1  0.356  0.243  0.413  1.0
  O  O12  1  0.000  0.000  0.000  1.0
  O  O13  1  0.644  0.257  0.913  1.0
[/CIF]
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The crystal structure described by Na2Zn2O3 is Aluminum carbonitride-like structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Zn(1) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing ZnO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent Zn(1) atoms to form corner-sharing ONa4Zn2 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1) and three equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Na2Zn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.926
_cell_length_c   5.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.238
_symmetry_Int_Tables_number   1
_cell_volume   177.532
_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  0.864  0.098  0.344  1.0
  Na  Na1  1  0.864  0.598  0.156  1.0
  Na  Na2  1  0.136  0.902  0.656  1.0
  Na  Na3  1  0.136  0.402  0.844  1.0
  Zn  Zn4  1  0.341  0.079  0.123  1.0
  Zn  Zn5  1  0.341  0.579  0.377  1.0
  Zn  Zn6  1  0.659  0.921  0.877  1.0
  Zn  Zn7  1  0.659  0.421  0.623  1.0
  O  O8  1  0.000  0.500  0.500  1.0
  O  O9  1  0.644  0.757  0.587  1.0
  O  O10  1  0.356  0.743  0.087  1.0
  O  O11  1  0.356  0.243  0.413  1.0
  O  O12  1  0.000  0.000  0.000  1.0
  O  O13  1  0.644  0.257  0.913  1.0
[/CIF]
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