The material described by ZnBi2O4 crystallizes in the triclinic P-1 space group. Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to two equivalent O(2) and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Zn(1), one Bi(1), and two equivalent Bi(2) atoms to form distorted corner-sharing OZnBi3 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Zn(1) and three equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Zn(1) and three equivalent Bi(2) atoms. is represented by the CIF file [CIF]
data_Zn(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.487
_cell_length_b   6.697
_cell_length_c   10.316
_cell_angle_alpha   101.603
_cell_angle_beta   99.375
_cell_angle_gamma   104.328
_symmetry_Int_Tables_number   1
_cell_volume   222.794
_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
  Zn  Zn0  1  0.968  0.283  0.729  1.0
  Zn  Zn1  1  0.032  0.717  0.271  1.0
  Bi  Bi2  1  0.219  0.845  0.612  1.0
  Bi  Bi3  1  0.199  0.305  0.068  1.0
  Bi  Bi4  1  0.801  0.695  0.932  1.0
  Bi  Bi5  1  0.781  0.155  0.388  1.0
  O  O6  1  0.153  0.025  0.255  1.0
  O  O7  1  0.185  0.599  0.780  1.0
  O  O8  1  0.815  0.401  0.220  1.0
  O  O9  1  0.847  0.975  0.745  1.0
  O  O10  1  0.630  0.822  0.405  1.0
  O  O11  1  0.646  0.356  0.908  1.0
  O  O12  1  0.370  0.178  0.595  1.0
  O  O13  1  0.354  0.644  0.092  1.0
[/CIF]
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The material described by ZnBi2O4 crystallizes in the triclinic P-1 space group. Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to two equivalent O(2) and three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Zn(1), one Bi(1), and two equivalent Bi(2) atoms to form distorted corner-sharing OZnBi3 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Zn(1) and three equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Zn(1) and three equivalent Bi(2) atoms. is represented by the CIF file [CIF]
data_Zn(BiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.487
_cell_length_b   6.697
_cell_length_c   10.316
_cell_angle_alpha   101.603
_cell_angle_beta   99.375
_cell_angle_gamma   104.328
_symmetry_Int_Tables_number   1
_cell_volume   222.794
_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
  Zn  Zn0  1  0.968  0.283  0.729  1.0
  Zn  Zn1  1  0.032  0.717  0.271  1.0
  Bi  Bi2  1  0.219  0.845  0.612  1.0
  Bi  Bi3  1  0.199  0.305  0.068  1.0
  Bi  Bi4  1  0.801  0.695  0.932  1.0
  Bi  Bi5  1  0.781  0.155  0.388  1.0
  O  O6  1  0.153  0.025  0.255  1.0
  O  O7  1  0.185  0.599  0.780  1.0
  O  O8  1  0.815  0.401  0.220  1.0
  O  O9  1  0.847  0.975  0.745  1.0
  O  O10  1  0.630  0.822  0.405  1.0
  O  O11  1  0.646  0.356  0.908  1.0
  O  O12  1  0.370  0.178  0.595  1.0
  O  O13  1  0.354  0.644  0.092  1.0
[/CIF]
.