The material described by Na3BiO3 crystallizes in the cubic I-43m space group. Na(1) is bonded to five equivalent O(1) atoms to form a mixture of corner and edge-sharing NaO5 square pyramids. Bi(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. O(1) is bonded to five equivalent Na(1) and one Bi(1) atom to form a mixture of corner and edge-sharing ONa5Bi octahedra. The corner-sharing octahedral tilt angles are 18°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3BiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.308
_cell_length_b   8.308
_cell_length_c   8.308
_cell_angle_alpha   109.472
_cell_angle_beta   109.472
_cell_angle_gamma   109.472
_symmetry_Int_Tables_number   1
_cell_volume   441.357
_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  0.246  0.721  0.721  1.0
  Na  Na1  1  0.721  0.721  0.246  1.0
  Na  Na2  1  0.721  0.246  0.721  1.0
  Na  Na3  1  1.000  0.525  0.279  1.0
  Na  Na4  1  1.000  0.279  0.525  1.0
  Na  Na5  1  0.754  0.475  0.475  1.0
  Na  Na6  1  0.475  0.475  0.754  1.0
  Na  Na7  1  0.525  0.279  1.000  1.0
  Na  Na8  1  0.279  1.000  0.525  1.0
  Na  Na9  1  0.525  1.000  0.279  1.0
  Na  Na10  1  0.475  0.754  0.475  1.0
  Na  Na11  1  0.279  0.525  1.000  1.0
  Bi  Bi12  1  0.000  0.716  0.000  1.0
  Bi  Bi13  1  0.000  0.000  0.716  1.0
  Bi  Bi14  1  0.284  0.284  0.284  1.0
  Bi  Bi15  1  0.716  0.000  1.000  1.0
  O  O16  1  0.486  0.256  0.486  1.0
  O  O17  1  0.256  0.486  0.486  1.0
  O  O18  1  0.486  0.486  0.256  1.0
  O  O19  1  0.514  0.771  1.000  1.0
  O  O20  1  0.771  0.000  0.514  1.0
  O  O21  1  0.514  0.000  0.771  1.0
  O  O22  1  0.229  0.744  0.229  1.0
  O  O23  1  0.771  0.514  1.000  1.0
  O  O24  1  1.000  0.514  0.771  1.0
  O  O25  1  0.229  0.229  0.744  1.0
  O  O26  1  0.744  0.229  0.229  1.0
  O  O27  1  1.000  0.771  0.514  1.0
[/CIF]
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The material described by Na3BiO3 crystallizes in the cubic I-43m space group. Na(1) is bonded to five equivalent O(1) atoms to form a mixture of corner and edge-sharing NaO5 square pyramids. Bi(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. O(1) is bonded to five equivalent Na(1) and one Bi(1) atom to form a mixture of corner and edge-sharing ONa5Bi octahedra. The corner-sharing octahedral tilt angles are 18°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3BiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.308
_cell_length_b   8.308
_cell_length_c   8.308
_cell_angle_alpha   109.472
_cell_angle_beta   109.472
_cell_angle_gamma   109.472
_symmetry_Int_Tables_number   1
_cell_volume   441.357
_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  0.246  0.721  0.721  1.0
  Na  Na1  1  0.721  0.721  0.246  1.0
  Na  Na2  1  0.721  0.246  0.721  1.0
  Na  Na3  1  1.000  0.525  0.279  1.0
  Na  Na4  1  1.000  0.279  0.525  1.0
  Na  Na5  1  0.754  0.475  0.475  1.0
  Na  Na6  1  0.475  0.475  0.754  1.0
  Na  Na7  1  0.525  0.279  1.000  1.0
  Na  Na8  1  0.279  1.000  0.525  1.0
  Na  Na9  1  0.525  1.000  0.279  1.0
  Na  Na10  1  0.475  0.754  0.475  1.0
  Na  Na11  1  0.279  0.525  1.000  1.0
  Bi  Bi12  1  0.000  0.716  0.000  1.0
  Bi  Bi13  1  0.000  0.000  0.716  1.0
  Bi  Bi14  1  0.284  0.284  0.284  1.0
  Bi  Bi15  1  0.716  0.000  1.000  1.0
  O  O16  1  0.486  0.256  0.486  1.0
  O  O17  1  0.256  0.486  0.486  1.0
  O  O18  1  0.486  0.486  0.256  1.0
  O  O19  1  0.514  0.771  1.000  1.0
  O  O20  1  0.771  0.000  0.514  1.0
  O  O21  1  0.514  0.000  0.771  1.0
  O  O22  1  0.229  0.744  0.229  1.0
  O  O23  1  0.771  0.514  1.000  1.0
  O  O24  1  1.000  0.514  0.771  1.0
  O  O25  1  0.229  0.229  0.744  1.0
  O  O26  1  0.744  0.229  0.229  1.0
  O  O27  1  1.000  0.771  0.514  1.0
[/CIF]
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