The compound described by Na2BiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fddd space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with five equivalent Na(2)O6 octahedra, and edges with five equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the second Na site, Na(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with four equivalent Bi(1)O6 octahedra, and edges with five equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form BiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with five equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing ONa4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing ONa4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. is represented by the CIF file [CIF]
data_Na2BiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.438
_cell_length_b   10.891
_cell_length_c   5.981
_cell_angle_alpha   79.583
_cell_angle_beta   69.468
_cell_angle_gamma   30.949
_symmetry_Int_Tables_number   1
_cell_volume   347.527
_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
  Na  Na0  1  0.997  0.997  0.503  1.0
  Na  Na1  1  0.421  0.421  0.579  1.0
  Na  Na2  1  0.829  0.829  0.671  1.0
  Na  Na3  1  0.253  0.253  0.747  1.0
  Na  Na4  1  0.747  0.747  0.253  1.0
  Na  Na5  1  0.671  0.671  0.829  1.0
  Na  Na6  1  0.579  0.579  0.421  1.0
  Na  Na7  1  0.503  0.503  0.997  1.0
  Bi  Bi8  1  0.916  0.916  0.084  1.0
  Bi  Bi9  1  0.334  0.334  0.166  1.0
  Bi  Bi10  1  0.166  0.166  0.334  1.0
  Bi  Bi11  1  0.084  0.084  0.916  1.0
  O  O12  1  0.152  0.667  0.311  1.0
  O  O13  1  0.667  0.152  0.870  1.0
  O  O14  1  0.098  0.583  0.939  1.0
  O  O15  1  0.583  0.098  0.380  1.0
  O  O16  1  0.029  0.471  0.471  1.0
  O  O17  1  0.471  0.029  0.029  1.0
  O  O18  1  0.380  0.939  0.583  1.0
  O  O19  1  0.939  0.380  0.098  1.0
  O  O20  1  0.870  0.311  0.667  1.0
  O  O21  1  0.311  0.870  0.152  1.0
  O  O22  1  0.221  0.779  0.779  1.0
  O  O23  1  0.779  0.221  0.221  1.0
[/CIF]
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The compound described by Na2BiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Fddd space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with five equivalent Na(2)O6 octahedra, and edges with five equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the second Na site, Na(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, edges with four equivalent Bi(1)O6 octahedra, and edges with five equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form BiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, edges with four equivalent Na(2)O6 octahedra, and edges with five equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing ONa4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing ONa4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. is represented by the CIF file [CIF]
data_Na2BiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.438
_cell_length_b   10.891
_cell_length_c   5.981
_cell_angle_alpha   79.583
_cell_angle_beta   69.468
_cell_angle_gamma   30.949
_symmetry_Int_Tables_number   1
_cell_volume   347.527
_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
  Na  Na0  1  0.997  0.997  0.503  1.0
  Na  Na1  1  0.421  0.421  0.579  1.0
  Na  Na2  1  0.829  0.829  0.671  1.0
  Na  Na3  1  0.253  0.253  0.747  1.0
  Na  Na4  1  0.747  0.747  0.253  1.0
  Na  Na5  1  0.671  0.671  0.829  1.0
  Na  Na6  1  0.579  0.579  0.421  1.0
  Na  Na7  1  0.503  0.503  0.997  1.0
  Bi  Bi8  1  0.916  0.916  0.084  1.0
  Bi  Bi9  1  0.334  0.334  0.166  1.0
  Bi  Bi10  1  0.166  0.166  0.334  1.0
  Bi  Bi11  1  0.084  0.084  0.916  1.0
  O  O12  1  0.152  0.667  0.311  1.0
  O  O13  1  0.667  0.152  0.870  1.0
  O  O14  1  0.098  0.583  0.939  1.0
  O  O15  1  0.583  0.098  0.380  1.0
  O  O16  1  0.029  0.471  0.471  1.0
  O  O17  1  0.471  0.029  0.029  1.0
  O  O18  1  0.380  0.939  0.583  1.0
  O  O19  1  0.939  0.380  0.098  1.0
  O  O20  1  0.870  0.311  0.667  1.0
  O  O21  1  0.311  0.870  0.152  1.0
  O  O22  1  0.221  0.779  0.779  1.0
  O  O23  1  0.779  0.221  0.221  1.0
[/CIF]
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