The material described by Na2BiO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c 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 0-13°. 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 two equivalent Na(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with five equivalent Na(1)O6 octahedra, and edges with five equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. 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 two equivalent Na(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, edges with five equivalent Na(1)O6 octahedra, and edges with five equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. 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 5-11°. 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 3-6°. is represented by the CIF card [CIF]
data_Na2BiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.778
_cell_length_b   5.778
_cell_length_c   5.790
_cell_angle_alpha   79.378
_cell_angle_beta   100.622
_cell_angle_gamma   61.804
_symmetry_Int_Tables_number   1
_cell_volume   159.018
_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  0.573  0.591  0.491  1.0
  Na  Na1  1  0.248  0.265  0.491  1.0
  Na  Na2  1  0.735  0.752  0.991  1.0
  Na  Na3  1  0.409  0.427  0.991  1.0
  Bi  Bi4  1  0.900  0.917  0.491  1.0
  Bi  Bi5  1  0.083  0.100  0.991  1.0
  O  O6  1  0.276  0.862  0.741  1.0
  O  O7  1  0.138  0.724  0.241  1.0
  O  O8  1  0.992  0.508  0.742  1.0
  O  O9  1  0.707  0.155  0.742  1.0
  O  O10  1  0.492  0.008  0.242  1.0
  O  O11  1  0.845  0.293  0.242  1.0
[/CIF]
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The material described by Na2BiO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c 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 0-13°. 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 two equivalent Na(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with five equivalent Na(1)O6 octahedra, and edges with five equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. 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 two equivalent Na(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, edges with five equivalent Na(1)O6 octahedra, and edges with five equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. 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 5-11°. 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 3-6°. is represented by the CIF card [CIF]
data_Na2BiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.778
_cell_length_b   5.778
_cell_length_c   5.790
_cell_angle_alpha   79.378
_cell_angle_beta   100.622
_cell_angle_gamma   61.804
_symmetry_Int_Tables_number   1
_cell_volume   159.018
_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  0.573  0.591  0.491  1.0
  Na  Na1  1  0.248  0.265  0.491  1.0
  Na  Na2  1  0.735  0.752  0.991  1.0
  Na  Na3  1  0.409  0.427  0.991  1.0
  Bi  Bi4  1  0.900  0.917  0.491  1.0
  Bi  Bi5  1  0.083  0.100  0.991  1.0
  O  O6  1  0.276  0.862  0.741  1.0
  O  O7  1  0.138  0.724  0.241  1.0
  O  O8  1  0.992  0.508  0.742  1.0
  O  O9  1  0.707  0.155  0.742  1.0
  O  O10  1  0.492  0.008  0.242  1.0
  O  O11  1  0.845  0.293  0.242  1.0
[/CIF]
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