The compound described by ZnBi2O5 crystallizes in the orthorhombic Cmcm space group. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, and edges with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. Bi(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form distorted BiO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zn(1) and two equivalent Bi(1) atoms to form distorted OZn2Bi2 tetrahedra that share corners with two equivalent O(1)Zn2Bi2 tetrahedra, corners with two equivalent O(2)ZnBi3 trigonal pyramids, and edges with four equivalent O(2)ZnBi3 trigonal pyramids. In the second O site, O(2) is bonded to one Zn(1) and three equivalent Bi(1) atoms to form distorted OZnBi3 trigonal pyramids that share  a cornercorner with one O(1)Zn2Bi2 tetrahedra, corners with three equivalent O(2)ZnBi3 trigonal pyramids, edges with two equivalent O(1)Zn2Bi2 tetrahedra, and edges with two equivalent O(2)ZnBi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_ZnBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.907
_cell_length_c   10.927
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.887
_symmetry_Int_Tables_number   1
_cell_volume   260.613
_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  0.183  0.817  0.750  1.0
  Zn  Zn1  1  0.817  0.183  0.250  1.0
  Bi  Bi2  1  0.860  0.140  0.571  1.0
  Bi  Bi3  1  0.140  0.860  0.429  1.0
  Bi  Bi4  1  0.140  0.860  0.071  1.0
  Bi  Bi5  1  0.860  0.140  0.929  1.0
  O  O6  1  0.241  0.759  0.250  1.0
  O  O7  1  0.759  0.241  0.750  1.0
  O  O8  1  0.697  0.303  0.080  1.0
  O  O9  1  0.303  0.697  0.920  1.0
  O  O10  1  0.303  0.697  0.580  1.0
  O  O11  1  0.697  0.303  0.420  1.0
  O  O12  1  0.054  0.946  0.615  1.0
  O  O13  1  0.946  0.054  0.385  1.0
  O  O14  1  0.054  0.946  0.885  1.0
  O  O15  1  0.946  0.054  0.115  1.0
[/CIF]
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The compound described by ZnBi2O5 crystallizes in the orthorhombic Cmcm space group. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, and edges with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. Bi(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form distorted BiO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zn(1) and two equivalent Bi(1) atoms to form distorted OZn2Bi2 tetrahedra that share corners with two equivalent O(1)Zn2Bi2 tetrahedra, corners with two equivalent O(2)ZnBi3 trigonal pyramids, and edges with four equivalent O(2)ZnBi3 trigonal pyramids. In the second O site, O(2) is bonded to one Zn(1) and three equivalent Bi(1) atoms to form distorted OZnBi3 trigonal pyramids that share  a cornercorner with one O(1)Zn2Bi2 tetrahedra, corners with three equivalent O(2)ZnBi3 trigonal pyramids, edges with two equivalent O(1)Zn2Bi2 tetrahedra, and edges with two equivalent O(2)ZnBi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_ZnBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.907
_cell_length_c   10.927
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.887
_symmetry_Int_Tables_number   1
_cell_volume   260.613
_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  0.183  0.817  0.750  1.0
  Zn  Zn1  1  0.817  0.183  0.250  1.0
  Bi  Bi2  1  0.860  0.140  0.571  1.0
  Bi  Bi3  1  0.140  0.860  0.429  1.0
  Bi  Bi4  1  0.140  0.860  0.071  1.0
  Bi  Bi5  1  0.860  0.140  0.929  1.0
  O  O6  1  0.241  0.759  0.250  1.0
  O  O7  1  0.759  0.241  0.750  1.0
  O  O8  1  0.697  0.303  0.080  1.0
  O  O9  1  0.303  0.697  0.920  1.0
  O  O10  1  0.303  0.697  0.580  1.0
  O  O11  1  0.697  0.303  0.420  1.0
  O  O12  1  0.054  0.946  0.615  1.0
  O  O13  1  0.946  0.054  0.385  1.0
  O  O14  1  0.054  0.946  0.885  1.0
  O  O15  1  0.946  0.054  0.115  1.0
[/CIF]
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