The material described by Na(BiO2)2 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. In the second Bi site, Bi(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Bi(1), and two equivalent Bi(2) atoms. In the second O site, O(2) is bonded to two equivalent Na(1) and three equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing ONa2Bi3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Na(1) and three equivalent Bi(2) atoms to form a mixture of edge and corner-sharing ONa2Bi3 square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Bi(2), and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.471
_cell_length_b   10.486
_cell_length_c   12.336
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.029
_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  0.250  0.742  0.147  1.0
  Na  Na1  1  0.750  0.758  0.647  1.0
  Na  Na2  1  0.250  0.242  0.353  1.0
  Na  Na3  1  0.750  0.258  0.853  1.0
  Bi  Bi4  1  0.250  0.566  0.384  1.0
  Bi  Bi5  1  0.250  0.584  0.894  1.0
  Bi  Bi6  1  0.750  0.916  0.394  1.0
  Bi  Bi7  1  0.750  0.934  0.884  1.0
  Bi  Bi8  1  0.250  0.066  0.116  1.0
  Bi  Bi9  1  0.250  0.084  0.606  1.0
  Bi  Bi10  1  0.750  0.416  0.106  1.0
  Bi  Bi11  1  0.750  0.434  0.616  1.0
  O  O12  1  0.750  0.516  0.788  1.0
  O  O13  1  0.250  0.580  0.577  1.0
  O  O14  1  0.750  0.615  0.021  1.0
  O  O15  1  0.750  0.714  0.331  1.0
  O  O16  1  0.250  0.786  0.831  1.0
  O  O17  1  0.250  0.885  0.521  1.0
  O  O18  1  0.750  0.920  0.077  1.0
  O  O19  1  0.250  0.984  0.288  1.0
  O  O20  1  0.750  0.016  0.712  1.0
  O  O21  1  0.250  0.080  0.923  1.0
  O  O22  1  0.750  0.115  0.479  1.0
  O  O23  1  0.750  0.214  0.169  1.0
  O  O24  1  0.250  0.286  0.669  1.0
  O  O25  1  0.250  0.385  0.979  1.0
  O  O26  1  0.750  0.420  0.423  1.0
  O  O27  1  0.250  0.484  0.212  1.0
[/CIF]
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The material described by Na(BiO2)2 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. In the second Bi site, Bi(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Bi(1), and two equivalent Bi(2) atoms. In the second O site, O(2) is bonded to two equivalent Na(1) and three equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing ONa2Bi3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Na(1) and three equivalent Bi(2) atoms to form a mixture of edge and corner-sharing ONa2Bi3 square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Bi(2), and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.471
_cell_length_b   10.486
_cell_length_c   12.336
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.029
_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  0.250  0.742  0.147  1.0
  Na  Na1  1  0.750  0.758  0.647  1.0
  Na  Na2  1  0.250  0.242  0.353  1.0
  Na  Na3  1  0.750  0.258  0.853  1.0
  Bi  Bi4  1  0.250  0.566  0.384  1.0
  Bi  Bi5  1  0.250  0.584  0.894  1.0
  Bi  Bi6  1  0.750  0.916  0.394  1.0
  Bi  Bi7  1  0.750  0.934  0.884  1.0
  Bi  Bi8  1  0.250  0.066  0.116  1.0
  Bi  Bi9  1  0.250  0.084  0.606  1.0
  Bi  Bi10  1  0.750  0.416  0.106  1.0
  Bi  Bi11  1  0.750  0.434  0.616  1.0
  O  O12  1  0.750  0.516  0.788  1.0
  O  O13  1  0.250  0.580  0.577  1.0
  O  O14  1  0.750  0.615  0.021  1.0
  O  O15  1  0.750  0.714  0.331  1.0
  O  O16  1  0.250  0.786  0.831  1.0
  O  O17  1  0.250  0.885  0.521  1.0
  O  O18  1  0.750  0.920  0.077  1.0
  O  O19  1  0.250  0.984  0.288  1.0
  O  O20  1  0.750  0.016  0.712  1.0
  O  O21  1  0.250  0.080  0.923  1.0
  O  O22  1  0.750  0.115  0.479  1.0
  O  O23  1  0.750  0.214  0.169  1.0
  O  O24  1  0.250  0.286  0.669  1.0
  O  O25  1  0.250  0.385  0.979  1.0
  O  O26  1  0.750  0.420  0.423  1.0
  O  O27  1  0.250  0.484  0.212  1.0
[/CIF]
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