The material described by Nb2Zn2BiO8 crystallizes in the monoclinic C2/c space group. Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra, corners with five equivalent Zn(1)O4 tetrahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. Zn(1) is bonded to one O(3) and three equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with five equivalent Nb(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-79°. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted BiO6 octahedra that share corners with eight equivalent Nb(1)O6 octahedra and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Nb(1) and three equivalent Zn(1) atoms to form a mixture of corner and edge-sharing ONbZn3 trigonal pyramids. is represented by the CIF card [CIF]
data_Nb2Zn2BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.822
_cell_length_b   10.822
_cell_length_c   5.453
_cell_angle_alpha   88.222
_cell_angle_beta   88.222
_cell_angle_gamma   32.166
_symmetry_Int_Tables_number   1
_cell_volume   339.834
_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
  Nb  Nb0  1  0.036  0.716  0.227  1.0
  Nb  Nb1  1  0.284  0.964  0.273  1.0
  Nb  Nb2  1  0.964  0.284  0.773  1.0
  Nb  Nb3  1  0.716  0.036  0.727  1.0
  Zn  Zn4  1  0.878  0.563  0.273  1.0
  Zn  Zn5  1  0.437  0.122  0.227  1.0
  Zn  Zn6  1  0.122  0.437  0.727  1.0
  Zn  Zn7  1  0.563  0.878  0.773  1.0
  Bi  Bi8  1  0.691  0.309  0.250  1.0
  Bi  Bi9  1  0.309  0.691  0.750  1.0
  O  O10  1  0.014  0.835  0.537  1.0
  O  O11  1  0.165  0.986  0.963  1.0
  O  O12  1  0.986  0.165  0.463  1.0
  O  O13  1  0.835  0.014  0.037  1.0
  O  O14  1  0.321  0.554  0.116  1.0
  O  O15  1  0.446  0.679  0.384  1.0
  O  O16  1  0.679  0.446  0.884  1.0
  O  O17  1  0.554  0.321  0.616  1.0
  O  O18  1  0.931  0.712  0.924  1.0
  O  O19  1  0.288  0.069  0.576  1.0
  O  O20  1  0.446  0.156  0.861  1.0
  O  O21  1  0.844  0.554  0.639  1.0
  O  O22  1  0.554  0.844  0.139  1.0
  O  O23  1  0.156  0.446  0.361  1.0
  O  O24  1  0.712  0.931  0.424  1.0
  O  O25  1  0.069  0.288  0.076  1.0
[/CIF]
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The material described by Nb2Zn2BiO8 crystallizes in the monoclinic C2/c space group. Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra, corners with five equivalent Zn(1)O4 tetrahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. Zn(1) is bonded to one O(3) and three equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with five equivalent Nb(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-79°. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted BiO6 octahedra that share corners with eight equivalent Nb(1)O6 octahedra and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Nb(1) and three equivalent Zn(1) atoms to form a mixture of corner and edge-sharing ONbZn3 trigonal pyramids. is represented by the CIF card [CIF]
data_Nb2Zn2BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.822
_cell_length_b   10.822
_cell_length_c   5.453
_cell_angle_alpha   88.222
_cell_angle_beta   88.222
_cell_angle_gamma   32.166
_symmetry_Int_Tables_number   1
_cell_volume   339.834
_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
  Nb  Nb0  1  0.036  0.716  0.227  1.0
  Nb  Nb1  1  0.284  0.964  0.273  1.0
  Nb  Nb2  1  0.964  0.284  0.773  1.0
  Nb  Nb3  1  0.716  0.036  0.727  1.0
  Zn  Zn4  1  0.878  0.563  0.273  1.0
  Zn  Zn5  1  0.437  0.122  0.227  1.0
  Zn  Zn6  1  0.122  0.437  0.727  1.0
  Zn  Zn7  1  0.563  0.878  0.773  1.0
  Bi  Bi8  1  0.691  0.309  0.250  1.0
  Bi  Bi9  1  0.309  0.691  0.750  1.0
  O  O10  1  0.014  0.835  0.537  1.0
  O  O11  1  0.165  0.986  0.963  1.0
  O  O12  1  0.986  0.165  0.463  1.0
  O  O13  1  0.835  0.014  0.037  1.0
  O  O14  1  0.321  0.554  0.116  1.0
  O  O15  1  0.446  0.679  0.384  1.0
  O  O16  1  0.679  0.446  0.884  1.0
  O  O17  1  0.554  0.321  0.616  1.0
  O  O18  1  0.931  0.712  0.924  1.0
  O  O19  1  0.288  0.069  0.576  1.0
  O  O20  1  0.446  0.156  0.861  1.0
  O  O21  1  0.844  0.554  0.639  1.0
  O  O22  1  0.554  0.844  0.139  1.0
  O  O23  1  0.156  0.446  0.361  1.0
  O  O24  1  0.712  0.931  0.424  1.0
  O  O25  1  0.069  0.288  0.076  1.0
[/CIF]
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