The material structure described by Na2Ba2O3 is Spinel-like structured and crystallizes in the tetragonal P4_32_12 space group. Na(1) is bonded to one O(2) and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. Ba(1) is bonded in a rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and three equivalent Ba(1) atoms to form OBa3Na3 octahedra that share corners with six equivalent O(2)Ba2Na2 tetrahedra and edges with six equivalent O(1)Ba3Na3 octahedra. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent Ba(1) atoms to form distorted corner-sharing OBa2Na2 tetrahedra. The corner-sharing octahedral tilt angles range from 50-70°. is represented by the CIF file [CIF]
data_Ba2Na2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.181
_cell_length_b   7.181
_cell_length_c   11.103
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   572.546
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.985  0.752  0.356  1.0
  Ba  Ba1  1  0.248  0.015  0.144  1.0
  Ba  Ba2  1  0.252  0.515  0.606  1.0
  Ba  Ba3  1  0.515  0.252  0.394  1.0
  Ba  Ba4  1  0.485  0.748  0.894  1.0
  Ba  Ba5  1  0.748  0.485  0.106  1.0
  Ba  Ba6  1  0.752  0.985  0.644  1.0
  Ba  Ba7  1  0.015  0.248  0.856  1.0
  Na  Na8  1  0.967  0.754  0.893  1.0
  Na  Na9  1  0.246  0.033  0.607  1.0
  Na  Na10  1  0.254  0.533  0.143  1.0
  Na  Na11  1  0.533  0.254  0.857  1.0
  Na  Na12  1  0.467  0.746  0.357  1.0
  Na  Na13  1  0.746  0.467  0.643  1.0
  Na  Na14  1  0.754  0.967  0.107  1.0
  Na  Na15  1  0.033  0.246  0.393  1.0
  O  O16  1  0.997  0.255  0.618  1.0
  O  O17  1  0.298  0.298  0.000  1.0
  O  O18  1  0.245  0.497  0.368  1.0
  O  O19  1  0.255  0.997  0.382  1.0
  O  O20  1  0.202  0.798  0.750  1.0
  O  O21  1  0.503  0.755  0.132  1.0
  O  O22  1  0.497  0.245  0.632  1.0
  O  O23  1  0.798  0.202  0.250  1.0
  O  O24  1  0.745  0.003  0.882  1.0
  O  O25  1  0.755  0.503  0.868  1.0
  O  O26  1  0.702  0.702  0.500  1.0
  O  O27  1  0.003  0.745  0.118  1.0
[/CIF]
.
The material structure described by Na2Ba2O3 is Spinel-like structured and crystallizes in the tetragonal P4_32_12 space group. Na(1) is bonded to one O(2) and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. Ba(1) is bonded in a rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and three equivalent Ba(1) atoms to form OBa3Na3 octahedra that share corners with six equivalent O(2)Ba2Na2 tetrahedra and edges with six equivalent O(1)Ba3Na3 octahedra. In the second O site, O(2) is bonded to two equivalent Na(1) and two equivalent Ba(1) atoms to form distorted corner-sharing OBa2Na2 tetrahedra. The corner-sharing octahedral tilt angles range from 50-70°. is represented by the CIF file [CIF]
data_Ba2Na2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.181
_cell_length_b   7.181
_cell_length_c   11.103
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   572.546
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.985  0.752  0.356  1.0
  Ba  Ba1  1  0.248  0.015  0.144  1.0
  Ba  Ba2  1  0.252  0.515  0.606  1.0
  Ba  Ba3  1  0.515  0.252  0.394  1.0
  Ba  Ba4  1  0.485  0.748  0.894  1.0
  Ba  Ba5  1  0.748  0.485  0.106  1.0
  Ba  Ba6  1  0.752  0.985  0.644  1.0
  Ba  Ba7  1  0.015  0.248  0.856  1.0
  Na  Na8  1  0.967  0.754  0.893  1.0
  Na  Na9  1  0.246  0.033  0.607  1.0
  Na  Na10  1  0.254  0.533  0.143  1.0
  Na  Na11  1  0.533  0.254  0.857  1.0
  Na  Na12  1  0.467  0.746  0.357  1.0
  Na  Na13  1  0.746  0.467  0.643  1.0
  Na  Na14  1  0.754  0.967  0.107  1.0
  Na  Na15  1  0.033  0.246  0.393  1.0
  O  O16  1  0.997  0.255  0.618  1.0
  O  O17  1  0.298  0.298  0.000  1.0
  O  O18  1  0.245  0.497  0.368  1.0
  O  O19  1  0.255  0.997  0.382  1.0
  O  O20  1  0.202  0.798  0.750  1.0
  O  O21  1  0.503  0.755  0.132  1.0
  O  O22  1  0.497  0.245  0.632  1.0
  O  O23  1  0.798  0.202  0.250  1.0
  O  O24  1  0.745  0.003  0.882  1.0
  O  O25  1  0.755  0.503  0.868  1.0
  O  O26  1  0.702  0.702  0.500  1.0
  O  O27  1  0.003  0.745  0.118  1.0
[/CIF]
.