The structure described by NbZn(PbO3)2 is Brookite-derived structured and crystallizes in the trigonal R3m space group. Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nb(1), one Zn(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Nb(1), one Zn(1), and one Pb(2) atom. is represented by the CIF file [CIF]
data_NbZn(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.869
_cell_length_b   5.869
_cell_length_c   5.869
_cell_angle_alpha   58.873
_cell_angle_beta   58.873
_cell_angle_gamma   58.873
_symmetry_Int_Tables_number   1
_cell_volume   139.279
_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
  Nb  Nb0  1  0.490  0.490  0.490  1.0
  Zn  Zn1  1  0.988  0.988  0.988  1.0
  Pb  Pb2  1  0.756  0.756  0.756  1.0
  Pb  Pb3  1  0.260  0.260  0.260  1.0
  O  O4  1  0.723  0.723  0.215  1.0
  O  O5  1  0.234  0.234  0.699  1.0
  O  O6  1  0.723  0.215  0.723  1.0
  O  O7  1  0.234  0.699  0.234  1.0
  O  O8  1  0.215  0.723  0.723  1.0
  O  O9  1  0.699  0.234  0.234  1.0
[/CIF]
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The structure described by NbZn(PbO3)2 is Brookite-derived structured and crystallizes in the trigonal R3m space group. Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nb(1), one Zn(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Nb(1), one Zn(1), and one Pb(2) atom. is represented by the CIF file [CIF]
data_NbZn(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.869
_cell_length_b   5.869
_cell_length_c   5.869
_cell_angle_alpha   58.873
_cell_angle_beta   58.873
_cell_angle_gamma   58.873
_symmetry_Int_Tables_number   1
_cell_volume   139.279
_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
  Nb  Nb0  1  0.490  0.490  0.490  1.0
  Zn  Zn1  1  0.988  0.988  0.988  1.0
  Pb  Pb2  1  0.756  0.756  0.756  1.0
  Pb  Pb3  1  0.260  0.260  0.260  1.0
  O  O4  1  0.723  0.723  0.215  1.0
  O  O5  1  0.234  0.234  0.699  1.0
  O  O6  1  0.723  0.215  0.723  1.0
  O  O7  1  0.234  0.699  0.234  1.0
  O  O8  1  0.215  0.723  0.723  1.0
  O  O9  1  0.699  0.234  0.234  1.0
[/CIF]
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