The material structure described by Zn2Bi3O8 crystallizes in the monoclinic C2/m space group. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and corners with six equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with four equivalent Bi(2)O6 octahedra. In the second Bi site, Bi(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Bi(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent Bi(2) 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 a mixture of distorted corner and edge-sharing OZnBi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Zn2Bi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   6.224
_cell_length_c   5.837
_cell_angle_alpha   71.003
_cell_angle_beta   71.003
_cell_angle_gamma   68.519
_symmetry_Int_Tables_number   1
_cell_volume   193.421
_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  0.336  0.336  0.135  1.0
  Zn  Zn1  1  0.664  0.664  0.865  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.267  0.733  0.500  1.0
  Bi  Bi4  1  0.733  0.267  0.500  1.0
  O  O5  1  0.623  0.623  0.245  1.0
  O  O6  1  0.377  0.377  0.755  1.0
  O  O7  1  0.120  0.120  0.279  1.0
  O  O8  1  0.880  0.880  0.721  1.0
  O  O9  1  0.627  0.144  0.258  1.0
  O  O10  1  0.144  0.627  0.258  1.0
  O  O11  1  0.856  0.373  0.742  1.0
  O  O12  1  0.373  0.856  0.742  1.0
[/CIF]
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The material structure described by Zn2Bi3O8 crystallizes in the monoclinic C2/m space group. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and corners with six equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with four equivalent Bi(2)O6 octahedra. In the second Bi site, Bi(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Bi(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent Bi(2) 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 a mixture of distorted corner and edge-sharing OZnBi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Zn2Bi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.224
_cell_length_b   6.224
_cell_length_c   5.837
_cell_angle_alpha   71.003
_cell_angle_beta   71.003
_cell_angle_gamma   68.519
_symmetry_Int_Tables_number   1
_cell_volume   193.421
_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  0.336  0.336  0.135  1.0
  Zn  Zn1  1  0.664  0.664  0.865  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.267  0.733  0.500  1.0
  Bi  Bi4  1  0.733  0.267  0.500  1.0
  O  O5  1  0.623  0.623  0.245  1.0
  O  O6  1  0.377  0.377  0.755  1.0
  O  O7  1  0.120  0.120  0.279  1.0
  O  O8  1  0.880  0.880  0.721  1.0
  O  O9  1  0.627  0.144  0.258  1.0
  O  O10  1  0.144  0.627  0.258  1.0
  O  O11  1  0.856  0.373  0.742  1.0
  O  O12  1  0.373  0.856  0.742  1.0
[/CIF]
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