The crystal structure described by ZnBiO3 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra, corners with four equivalent Bi(2)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-84°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) 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 Bi(2)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. 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 Bi(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zn(1), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OZn2Bi2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_ZnBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.590
_cell_length_b   5.652
_cell_length_c   10.019
_cell_angle_alpha   57.151
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.945
_cell_formula_units_Z   4
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  0.020  0.774  0.248  1.0
  Zn  Zn1  1  0.480  0.774  0.748  1.0
  Zn  Zn2  1  0.520  0.226  0.252  1.0
  Zn  Zn3  1  0.980  0.226  0.752  1.0
  Bi  Bi4  1  0.000  0.500  0.000  1.0
  Bi  Bi5  1  0.500  0.000  0.000  1.0
  Bi  Bi6  1  0.500  0.500  0.500  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.628  0.129  0.734  1.0
  O  O9  1  0.872  0.129  0.234  1.0
  O  O10  1  0.128  0.871  0.766  1.0
  O  O11  1  0.372  0.871  0.266  1.0
  O  O12  1  0.355  0.243  0.425  1.0
  O  O13  1  0.169  0.554  0.585  1.0
  O  O14  1  0.855  0.757  0.075  1.0
  O  O15  1  0.669  0.446  0.915  1.0
  O  O16  1  0.331  0.554  0.085  1.0
  O  O17  1  0.145  0.243  0.925  1.0
  O  O18  1  0.645  0.757  0.575  1.0
  O  O19  1  0.831  0.446  0.415  1.0
[/CIF]
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The crystal structure described by ZnBiO3 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra, corners with four equivalent Bi(2)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-84°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) 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 Bi(2)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. 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 Bi(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zn(1), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OZn2Bi2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_ZnBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.590
_cell_length_b   5.652
_cell_length_c   10.019
_cell_angle_alpha   57.151
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.945
_cell_formula_units_Z   4
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  0.020  0.774  0.248  1.0
  Zn  Zn1  1  0.480  0.774  0.748  1.0
  Zn  Zn2  1  0.520  0.226  0.252  1.0
  Zn  Zn3  1  0.980  0.226  0.752  1.0
  Bi  Bi4  1  0.000  0.500  0.000  1.0
  Bi  Bi5  1  0.500  0.000  0.000  1.0
  Bi  Bi6  1  0.500  0.500  0.500  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.628  0.129  0.734  1.0
  O  O9  1  0.872  0.129  0.234  1.0
  O  O10  1  0.128  0.871  0.766  1.0
  O  O11  1  0.372  0.871  0.266  1.0
  O  O12  1  0.355  0.243  0.425  1.0
  O  O13  1  0.169  0.554  0.585  1.0
  O  O14  1  0.855  0.757  0.075  1.0
  O  O15  1  0.669  0.446  0.915  1.0
  O  O16  1  0.331  0.554  0.085  1.0
  O  O17  1  0.145  0.243  0.925  1.0
  O  O18  1  0.645  0.757  0.575  1.0
  O  O19  1  0.831  0.446  0.415  1.0
[/CIF]
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