The material described by Zn(BiO2)4 crystallizes in the monoclinic Cm space group. Zn(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form ZnO5 square pyramids that share corners with two equivalent Bi(3)O6 octahedra, corners with two equivalent Bi(4)O6 octahedra,  a cornercorner with one Bi(2)O4 tetrahedra,  an edgeedge with one Bi(4)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 15-56°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra, corners with two equivalent Bi(2)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(4)O6 octahedra, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. In the second Bi site, Bi(2) is bonded to one O(4), one O(8), and two equivalent O(3) atoms to form BiO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(3)O6 octahedra, corners with two equivalent Bi(4)O6 octahedra,  a cornercorner with one Zn(1)O5 square pyramid, and corners with two equivalent Bi(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-68°. In the third Bi site, Bi(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, corners with two equivalent Bi(2)O4 tetrahedra, and edges with two equivalent Bi(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth Bi site, Bi(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, corners with two equivalent Bi(2)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(4)O6 octahedra, and  an edgeedge with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Bi(3) and two equivalent Bi(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Bi(1) and two equivalent Bi(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Bi(4) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded to one Zn(1), one Bi(2), and two equivalent Bi(1) atoms to form distorted OZnBi3 trigonal pyramids that share corners with two equivalent O(4)ZnBi3 trigonal pyramids and edges with two equivalent O(7)Zn2Bi3 square pyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Bi(4) and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one Bi(3) atom. In the seventh O site, O(7) is bonded to two equivalent Zn(1), one Bi(1), and two equivalent Bi(4) atoms to form OZn2Bi3 square pyramids that share edges with two equivalent O(7)Zn2Bi3 square pyramids and edges with two equivalent O(4)ZnBi3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.794
_cell_length_b   8.794
_cell_length_c   10.142
_cell_angle_alpha   55.461
_cell_angle_beta   55.461
_cell_angle_gamma   22.363
_symmetry_Int_Tables_number   1
_cell_volume   243.531
_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  0.298  0.298  0.223  1.0
  Bi  Bi1  1  0.641  0.641  0.571  1.0
  Bi  Bi2  1  0.124  0.124  0.203  1.0
  Bi  Bi3  1  0.853  0.853  0.848  1.0
  Bi  Bi4  1  0.353  0.353  0.489  1.0
  O  O5  1  0.873  0.873  0.614  1.0
  O  O6  1  0.451  0.451  0.776  1.0
  O  O7  1  0.527  0.527  0.265  1.0
  O  O8  1  0.152  0.152  0.394  1.0
  O  O9  1  0.195  0.195  0.648  1.0
  O  O10  1  0.802  0.802  0.099  1.0
  O  O11  1  0.803  0.803  0.364  1.0
  O  O12  1  0.254  0.254  0.915  1.0
[/CIF]
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The material described by Zn(BiO2)4 crystallizes in the monoclinic Cm space group. Zn(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form ZnO5 square pyramids that share corners with two equivalent Bi(3)O6 octahedra, corners with two equivalent Bi(4)O6 octahedra,  a cornercorner with one Bi(2)O4 tetrahedra,  an edgeedge with one Bi(4)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 15-56°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra, corners with two equivalent Bi(2)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(4)O6 octahedra, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 52°. In the second Bi site, Bi(2) is bonded to one O(4), one O(8), and two equivalent O(3) atoms to form BiO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(3)O6 octahedra, corners with two equivalent Bi(4)O6 octahedra,  a cornercorner with one Zn(1)O5 square pyramid, and corners with two equivalent Bi(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-68°. In the third Bi site, Bi(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(4)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, corners with two equivalent Bi(2)O4 tetrahedra, and edges with two equivalent Bi(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth Bi site, Bi(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, corners with two equivalent Bi(2)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(4)O6 octahedra, and  an edgeedge with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Bi(3) and two equivalent Bi(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Bi(1) and two equivalent Bi(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Bi(4) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded to one Zn(1), one Bi(2), and two equivalent Bi(1) atoms to form distorted OZnBi3 trigonal pyramids that share corners with two equivalent O(4)ZnBi3 trigonal pyramids and edges with two equivalent O(7)Zn2Bi3 square pyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Bi(4) and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one Bi(3) atom. In the seventh O site, O(7) is bonded to two equivalent Zn(1), one Bi(1), and two equivalent Bi(4) atoms to form OZn2Bi3 square pyramids that share edges with two equivalent O(7)Zn2Bi3 square pyramids and edges with two equivalent O(4)ZnBi3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.794
_cell_length_b   8.794
_cell_length_c   10.142
_cell_angle_alpha   55.461
_cell_angle_beta   55.461
_cell_angle_gamma   22.363
_symmetry_Int_Tables_number   1
_cell_volume   243.531
_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  0.298  0.298  0.223  1.0
  Bi  Bi1  1  0.641  0.641  0.571  1.0
  Bi  Bi2  1  0.124  0.124  0.203  1.0
  Bi  Bi3  1  0.853  0.853  0.848  1.0
  Bi  Bi4  1  0.353  0.353  0.489  1.0
  O  O5  1  0.873  0.873  0.614  1.0
  O  O6  1  0.451  0.451  0.776  1.0
  O  O7  1  0.527  0.527  0.265  1.0
  O  O8  1  0.152  0.152  0.394  1.0
  O  O9  1  0.195  0.195  0.648  1.0
  O  O10  1  0.802  0.802  0.099  1.0
  O  O11  1  0.803  0.803  0.364  1.0
  O  O12  1  0.254  0.254  0.915  1.0
[/CIF]
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