The compound described by ZnBi4O9 crystallizes in the monoclinic P2/c space group. Zn(1) is bonded in a 6-coordinate geometry to 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), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded to one Zn(1), one Bi(1), and two equivalent Bi(2) atoms to form distorted OZnBi3 tetrahedra that share  a cornercorner with one O(3)ZnBi3 tetrahedra, corners with three equivalent O(1)Bi4 tetrahedra, corners with three equivalent O(4)ZnBi3 tetrahedra,  an edgeedge with one O(3)ZnBi3 tetrahedra, and edges with two equivalent O(4)ZnBi3 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(1), one Bi(1), and two equivalent Bi(2) atoms to form OZnBi3 tetrahedra that share  a cornercorner with one O(1)Bi4 tetrahedra,  a cornercorner with one O(4)ZnBi3 tetrahedra, corners with three equivalent O(3)ZnBi3 tetrahedra,  an edgeedge with one O(1)Bi4 tetrahedra,  an edgeedge with one O(4)ZnBi3 tetrahedra, and edges with two equivalent O(3)ZnBi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Bi(2) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_ZnBi4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.824
_cell_length_b   8.163
_cell_length_c   11.313
_cell_angle_alpha   50.928
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   417.516
_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  0.196  0.000  0.250  1.0
  Zn  Zn1  1  0.804  0.000  0.750  1.0
  Bi  Bi2  1  0.690  0.802  0.555  1.0
  Bi  Bi3  1  0.249  0.603  0.863  1.0
  Bi  Bi4  1  0.751  0.603  0.363  1.0
  Bi  Bi5  1  0.310  0.802  0.055  1.0
  Bi  Bi6  1  0.690  0.198  0.945  1.0
  Bi  Bi7  1  0.751  0.397  0.137  1.0
  Bi  Bi8  1  0.310  0.198  0.445  1.0
  Bi  Bi9  1  0.249  0.397  0.637  1.0
  O  O10  1  0.556  0.500  0.750  1.0
  O  O11  1  0.444  0.500  0.250  1.0
  O  O12  1  0.890  0.184  0.798  1.0
  O  O13  1  0.047  0.276  0.533  1.0
  O  O14  1  0.047  0.724  0.967  1.0
  O  O15  1  0.890  0.816  0.702  1.0
  O  O16  1  0.110  0.816  0.202  1.0
  O  O17  1  0.953  0.724  0.467  1.0
  O  O18  1  0.953  0.276  0.033  1.0
  O  O19  1  0.110  0.184  0.298  1.0
  O  O20  1  0.480  0.269  0.070  1.0
  O  O21  1  0.634  0.871  0.120  1.0
  O  O22  1  0.634  0.129  0.380  1.0
  O  O23  1  0.480  0.731  0.430  1.0
  O  O24  1  0.520  0.269  0.570  1.0
  O  O25  1  0.366  0.129  0.880  1.0
  O  O26  1  0.366  0.871  0.620  1.0
  O  O27  1  0.520  0.731  0.930  1.0
[/CIF]
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The compound described by ZnBi4O9 crystallizes in the monoclinic P2/c space group. Zn(1) is bonded in a 6-coordinate geometry to 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), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded to one Zn(1), one Bi(1), and two equivalent Bi(2) atoms to form distorted OZnBi3 tetrahedra that share  a cornercorner with one O(3)ZnBi3 tetrahedra, corners with three equivalent O(1)Bi4 tetrahedra, corners with three equivalent O(4)ZnBi3 tetrahedra,  an edgeedge with one O(3)ZnBi3 tetrahedra, and edges with two equivalent O(4)ZnBi3 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(1), one Bi(1), and two equivalent Bi(2) atoms to form OZnBi3 tetrahedra that share  a cornercorner with one O(1)Bi4 tetrahedra,  a cornercorner with one O(4)ZnBi3 tetrahedra, corners with three equivalent O(3)ZnBi3 tetrahedra,  an edgeedge with one O(1)Bi4 tetrahedra,  an edgeedge with one O(4)ZnBi3 tetrahedra, and edges with two equivalent O(3)ZnBi3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Bi(2) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_ZnBi4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.824
_cell_length_b   8.163
_cell_length_c   11.313
_cell_angle_alpha   50.928
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   417.516
_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  0.196  0.000  0.250  1.0
  Zn  Zn1  1  0.804  0.000  0.750  1.0
  Bi  Bi2  1  0.690  0.802  0.555  1.0
  Bi  Bi3  1  0.249  0.603  0.863  1.0
  Bi  Bi4  1  0.751  0.603  0.363  1.0
  Bi  Bi5  1  0.310  0.802  0.055  1.0
  Bi  Bi6  1  0.690  0.198  0.945  1.0
  Bi  Bi7  1  0.751  0.397  0.137  1.0
  Bi  Bi8  1  0.310  0.198  0.445  1.0
  Bi  Bi9  1  0.249  0.397  0.637  1.0
  O  O10  1  0.556  0.500  0.750  1.0
  O  O11  1  0.444  0.500  0.250  1.0
  O  O12  1  0.890  0.184  0.798  1.0
  O  O13  1  0.047  0.276  0.533  1.0
  O  O14  1  0.047  0.724  0.967  1.0
  O  O15  1  0.890  0.816  0.702  1.0
  O  O16  1  0.110  0.816  0.202  1.0
  O  O17  1  0.953  0.724  0.467  1.0
  O  O18  1  0.953  0.276  0.033  1.0
  O  O19  1  0.110  0.184  0.298  1.0
  O  O20  1  0.480  0.269  0.070  1.0
  O  O21  1  0.634  0.871  0.120  1.0
  O  O22  1  0.634  0.129  0.380  1.0
  O  O23  1  0.480  0.731  0.430  1.0
  O  O24  1  0.520  0.269  0.570  1.0
  O  O25  1  0.366  0.129  0.880  1.0
  O  O26  1  0.366  0.871  0.620  1.0
  O  O27  1  0.520  0.731  0.930  1.0
[/CIF]
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