The material described by Nb2Zn(PbO3)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(5), one O(6), one O(8), one O(9), and two equivalent O(3) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the second Nb site, Nb(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. Zn(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(7), one O(9), and two equivalent O(1) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(7), and one O(9) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zn(1), one Pb(1), one Pb(2), and one Pb(3) atom to form distorted corner-sharing OZn2Pb3 square pyramids. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Nb(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nb(2), one Zn(1), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Nb(1), one Zn(1), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Nb(1) and one Nb(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Nb(2), one Zn(1), one Pb(1), and one Pb(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Nb(1), one Zn(1), one Pb(1), and one Pb(3) atom. is represented by the CIF file [CIF]
data_Nb2Zn(PbO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.191
_cell_length_b   12.524
_cell_length_c   5.818
_cell_angle_alpha   44.661
_cell_angle_beta   89.156
_cell_angle_gamma   89.228
_symmetry_Int_Tables_number   1
_cell_volume   214.669
_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  0.457  0.650  0.515  1.0
  Nb  Nb1  1  0.455  0.336  0.493  1.0
  Zn  Zn2  1  0.466  0.989  0.480  1.0
  Pb  Pb3  1  0.885  0.985  0.964  1.0
  Pb  Pb4  1  0.943  0.270  0.083  1.0
  Pb  Pb5  1  0.931  0.709  0.912  1.0
  O  O6  1  0.989  0.997  0.526  1.0
  O  O7  1  0.010  0.339  0.496  1.0
  O  O8  1  0.010  0.660  0.507  1.0
  O  O9  1  0.517  0.184  0.979  1.0
  O  O10  1  0.531  0.820  0.026  1.0
  O  O11  1  0.522  0.500  0.003  1.0
  O  O12  1  0.529  0.177  0.506  1.0
  O  O13  1  0.519  0.501  0.496  1.0
  O  O14  1  0.525  0.814  0.514  1.0
[/CIF]
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The material described by Nb2Zn(PbO3)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(5), one O(6), one O(8), one O(9), and two equivalent O(3) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the second Nb site, Nb(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. Zn(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(7), one O(9), and two equivalent O(1) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(7), and one O(9) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Zn(1), one Pb(1), one Pb(2), and one Pb(3) atom to form distorted corner-sharing OZn2Pb3 square pyramids. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Nb(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nb(2), one Zn(1), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Nb(1), one Zn(1), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Nb(1) and one Nb(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Nb(2), one Zn(1), one Pb(1), and one Pb(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Nb(1), one Zn(1), one Pb(1), and one Pb(3) atom. is represented by the CIF file [CIF]
data_Nb2Zn(PbO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.191
_cell_length_b   12.524
_cell_length_c   5.818
_cell_angle_alpha   44.661
_cell_angle_beta   89.156
_cell_angle_gamma   89.228
_symmetry_Int_Tables_number   1
_cell_volume   214.669
_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  0.457  0.650  0.515  1.0
  Nb  Nb1  1  0.455  0.336  0.493  1.0
  Zn  Zn2  1  0.466  0.989  0.480  1.0
  Pb  Pb3  1  0.885  0.985  0.964  1.0
  Pb  Pb4  1  0.943  0.270  0.083  1.0
  Pb  Pb5  1  0.931  0.709  0.912  1.0
  O  O6  1  0.989  0.997  0.526  1.0
  O  O7  1  0.010  0.339  0.496  1.0
  O  O8  1  0.010  0.660  0.507  1.0
  O  O9  1  0.517  0.184  0.979  1.0
  O  O10  1  0.531  0.820  0.026  1.0
  O  O11  1  0.522  0.500  0.003  1.0
  O  O12  1  0.529  0.177  0.506  1.0
  O  O13  1  0.519  0.501  0.496  1.0
  O  O14  1  0.525  0.814  0.514  1.0
[/CIF]
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