The compound described by Zn(BiO2)4 crystallizes in the trigonal R-3m space group. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Bi(2)O6 octahedra and edges with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form BiO6 octahedra that share edges with two equivalent Zn(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with four equivalent Bi(1)O6 octahedra. In the second Bi site, Bi(2) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and edges with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Zn(1), one Bi(2), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Zn(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.342
_cell_length_b   6.342
_cell_length_c   6.342
_cell_angle_alpha   68.728
_cell_angle_beta   68.728
_cell_angle_gamma   68.728
_symmetry_Int_Tables_number   1
_cell_volume   213.531
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.000  0.500  0.500  1.0
  Bi  Bi2  1  0.500  0.000  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
  Bi  Bi4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.276  0.739  0.739  1.0
  O  O6  1  0.261  0.261  0.724  1.0
  O  O7  1  0.724  0.261  0.261  1.0
  O  O8  1  0.261  0.724  0.261  1.0
  O  O9  1  0.262  0.262  0.262  1.0
  O  O10  1  0.738  0.738  0.738  1.0
  O  O11  1  0.739  0.276  0.739  1.0
  O  O12  1  0.739  0.739  0.276  1.0
[/CIF]
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The compound described by Zn(BiO2)4 crystallizes in the trigonal R-3m space group. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Bi(2)O6 octahedra and edges with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form BiO6 octahedra that share edges with two equivalent Zn(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with four equivalent Bi(1)O6 octahedra. In the second Bi site, Bi(2) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and edges with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Zn(1), one Bi(2), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Zn(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.342
_cell_length_b   6.342
_cell_length_c   6.342
_cell_angle_alpha   68.728
_cell_angle_beta   68.728
_cell_angle_gamma   68.728
_symmetry_Int_Tables_number   1
_cell_volume   213.531
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.000  0.500  0.500  1.0
  Bi  Bi2  1  0.500  0.000  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
  Bi  Bi4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.276  0.739  0.739  1.0
  O  O6  1  0.261  0.261  0.724  1.0
  O  O7  1  0.724  0.261  0.261  1.0
  O  O8  1  0.261  0.724  0.261  1.0
  O  O9  1  0.262  0.262  0.262  1.0
  O  O10  1  0.738  0.738  0.738  1.0
  O  O11  1  0.739  0.276  0.739  1.0
  O  O12  1  0.739  0.739  0.276  1.0
[/CIF]
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