The material structure described by NiZnBiO5 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Bi(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-52°. Zn(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Ni(1)O5 trigonal bipyramids,  an edgeedge with one Zn(1)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-34°. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid,  an edgeedge with one Bi(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with two equivalent Ni(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 30-34°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1), one Zn(1), and one Bi(1) atom to form OZnNi2Bi trigonal pyramids that share corners with two equivalent O(4)Zn2Bi2 trigonal pyramids,  an edgeedge with one O(4)Zn2Bi2 trigonal pyramid, and  an edgeedge with one O(1)ZnNi2Bi trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Zn(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Zn(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Zn(1) and two equivalent Bi(1) atoms to form OZn2Bi2 trigonal pyramids that share corners with two equivalent O(1)ZnNi2Bi trigonal pyramids,  an edgeedge with one O(1)ZnNi2Bi trigonal pyramid, and edges with two equivalent O(4)Zn2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ni(1), one Zn(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_ZnNiBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.459
_cell_length_b   5.362
_cell_length_c   8.368
_cell_angle_alpha   69.720
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.201
_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  0.091  0.530  0.827  1.0
  Zn  Zn1  1  0.909  0.470  0.173  1.0
  Zn  Zn2  1  0.591  0.470  0.673  1.0
  Zn  Zn3  1  0.409  0.530  0.327  1.0
  Ni  Ni4  1  0.385  0.128  0.057  1.0
  Ni  Ni5  1  0.615  0.872  0.943  1.0
  Ni  Ni6  1  0.885  0.872  0.443  1.0
  Ni  Ni7  1  0.115  0.128  0.557  1.0
  Bi  Bi8  1  0.896  0.023  0.843  1.0
  Bi  Bi9  1  0.104  0.977  0.157  1.0
  Bi  Bi10  1  0.604  0.023  0.343  1.0
  Bi  Bi11  1  0.396  0.977  0.657  1.0
  O  O12  1  0.956  0.846  0.658  1.0
  O  O13  1  0.031  0.306  0.682  1.0
  O  O14  1  0.793  0.179  0.310  1.0
  O  O15  1  0.456  0.753  0.495  1.0
  O  O16  1  0.720  0.707  0.507  1.0
  O  O17  1  0.780  0.707  0.007  1.0
  O  O18  1  0.469  0.306  0.182  1.0
  O  O19  1  0.531  0.694  0.818  1.0
  O  O20  1  0.544  0.247  0.505  1.0
  O  O21  1  0.456  0.154  0.842  1.0
  O  O22  1  0.280  0.293  0.493  1.0
  O  O23  1  0.044  0.154  0.342  1.0
  O  O24  1  0.544  0.846  0.158  1.0
  O  O25  1  0.220  0.293  0.993  1.0
  O  O26  1  0.956  0.247  0.005  1.0
  O  O27  1  0.044  0.753  0.995  1.0
  O  O28  1  0.207  0.821  0.690  1.0
  O  O29  1  0.969  0.694  0.318  1.0
  O  O30  1  0.293  0.821  0.190  1.0
  O  O31  1  0.707  0.179  0.810  1.0
[/CIF]
.
The material structure described by NiZnBiO5 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Bi(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-52°. Zn(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Ni(1)O5 trigonal bipyramids,  an edgeedge with one Zn(1)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and  an edgeedge with one Ni(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-34°. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid,  an edgeedge with one Bi(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with two equivalent Ni(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 30-34°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1), one Zn(1), and one Bi(1) atom to form OZnNi2Bi trigonal pyramids that share corners with two equivalent O(4)Zn2Bi2 trigonal pyramids,  an edgeedge with one O(4)Zn2Bi2 trigonal pyramid, and  an edgeedge with one O(1)ZnNi2Bi trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Zn(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Zn(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Zn(1) and two equivalent Bi(1) atoms to form OZn2Bi2 trigonal pyramids that share corners with two equivalent O(1)ZnNi2Bi trigonal pyramids,  an edgeedge with one O(1)ZnNi2Bi trigonal pyramid, and edges with two equivalent O(4)Zn2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ni(1), one Zn(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_ZnNiBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.459
_cell_length_b   5.362
_cell_length_c   8.368
_cell_angle_alpha   69.720
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.201
_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  0.091  0.530  0.827  1.0
  Zn  Zn1  1  0.909  0.470  0.173  1.0
  Zn  Zn2  1  0.591  0.470  0.673  1.0
  Zn  Zn3  1  0.409  0.530  0.327  1.0
  Ni  Ni4  1  0.385  0.128  0.057  1.0
  Ni  Ni5  1  0.615  0.872  0.943  1.0
  Ni  Ni6  1  0.885  0.872  0.443  1.0
  Ni  Ni7  1  0.115  0.128  0.557  1.0
  Bi  Bi8  1  0.896  0.023  0.843  1.0
  Bi  Bi9  1  0.104  0.977  0.157  1.0
  Bi  Bi10  1  0.604  0.023  0.343  1.0
  Bi  Bi11  1  0.396  0.977  0.657  1.0
  O  O12  1  0.956  0.846  0.658  1.0
  O  O13  1  0.031  0.306  0.682  1.0
  O  O14  1  0.793  0.179  0.310  1.0
  O  O15  1  0.456  0.753  0.495  1.0
  O  O16  1  0.720  0.707  0.507  1.0
  O  O17  1  0.780  0.707  0.007  1.0
  O  O18  1  0.469  0.306  0.182  1.0
  O  O19  1  0.531  0.694  0.818  1.0
  O  O20  1  0.544  0.247  0.505  1.0
  O  O21  1  0.456  0.154  0.842  1.0
  O  O22  1  0.280  0.293  0.493  1.0
  O  O23  1  0.044  0.154  0.342  1.0
  O  O24  1  0.544  0.846  0.158  1.0
  O  O25  1  0.220  0.293  0.993  1.0
  O  O26  1  0.956  0.247  0.005  1.0
  O  O27  1  0.044  0.753  0.995  1.0
  O  O28  1  0.207  0.821  0.690  1.0
  O  O29  1  0.969  0.694  0.318  1.0
  O  O30  1  0.293  0.821  0.190  1.0
  O  O31  1  0.707  0.179  0.810  1.0
[/CIF]
.