The material described by Zr4FePb4BiO15 crystallizes in the monoclinic Cc space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(3), one O(8), one O(9), and two equivalent O(6) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. In the second Zr site, Zr(2) is bonded to one O(1), one O(11), one O(13), one O(14), one O(3), and one O(5) atom to form ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Zr(4)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-24°. In the third Zr site, Zr(3) is bonded to one O(2), one O(7), one O(8), one O(9), and two equivalent O(4) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. In the fourth Zr site, Zr(4) is bonded to one O(10), one O(12), one O(13), one O(2), one O(5), and one O(7) atom to form ZrO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with two equivalent Zr(3)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-24°. Fe(1) is bonded to one O(10), one O(11), one O(12), one O(14), and two equivalent O(15) atoms to form distorted FeO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with two equivalent Zr(4)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(5), and one O(8) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(6), one O(7), and two equivalent O(9) atoms. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(2), and one O(3) atom. In the fourth Pb site, Pb(4) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(7), one O(8), and two equivalent O(4) atoms. Bi(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), and two equivalent O(14) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), one Pb(2), and one Pb(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Zr(3), one Zr(4), one Pb(1), and one Pb(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), one Pb(2), and one Pb(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Zr(3) and two equivalent Pb(4) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(4), one Pb(1), and one Pb(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Zr(1), one Pb(2), and one Pb(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Zr(3), one Zr(4), one Pb(2), and one Pb(4) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Zr(1), one Zr(3), one Pb(1), and one Pb(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(3), and two equivalent Pb(2) atoms. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Zr(4), one Fe(1), one Pb(1), and one Bi(1) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Zr(2), one Fe(1), one Pb(1), and one Pb(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Zr(4), one Fe(1), one Pb(1), and one Bi(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(4), one Pb(3), and one Bi(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Zr(2), one Fe(1), and two equivalent Bi(1) atoms. In the fifteenth O site, O(15) is bonded in a distorted see-saw-like geometry to two equivalent Fe(1), one Pb(3), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr4FeBiPb4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.523
_cell_length_b   15.523
_cell_length_c   5.943
_cell_angle_alpha   79.241
_cell_angle_beta   79.241
_cell_angle_gamma   141.610
_symmetry_Int_Tables_number   1
_cell_volume   732.024
_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
  Zr  Zr0  1  0.375  0.476  0.671  1.0
  Zr  Zr1  1  0.274  0.574  0.165  1.0
  Zr  Zr2  1  0.977  0.875  0.671  1.0
  Zr  Zr3  1  0.875  0.977  0.171  1.0
  Zr  Zr4  1  0.574  0.274  0.665  1.0
  Zr  Zr5  1  0.476  0.375  0.171  1.0
  Zr  Zr6  1  0.075  0.774  0.166  1.0
  Zr  Zr7  1  0.774  0.075  0.666  1.0
  Fe  Fe8  1  0.174  0.675  0.684  1.0
  Fe  Fe9  1  0.675  0.174  0.184  1.0
  Bi  Bi10  1  0.390  0.888  0.041  1.0
  Bi  Bi11  1  0.888  0.390  0.541  1.0
  Pb  Pb12  1  0.000  0.311  0.983  1.0
  Pb  Pb13  1  0.606  0.705  0.984  1.0
  Pb  Pb14  1  0.496  0.805  0.481  1.0
  Pb  Pb15  1  0.204  0.105  0.986  1.0
  Pb  Pb16  1  0.105  0.204  0.486  1.0
  Pb  Pb17  1  0.805  0.496  0.981  1.0
  Pb  Pb18  1  0.705  0.606  0.484  1.0
  Pb  Pb19  1  0.311  0.000  0.483  1.0
  O  O20  1  0.366  0.575  0.378  1.0
  O  O21  1  0.810  0.026  0.381  1.0
  O  O22  1  0.374  0.569  0.879  1.0
  O  O23  1  0.967  0.973  0.377  1.0
  O  O24  1  0.042  0.325  0.381  1.0
  O  O25  1  0.411  0.426  0.376  1.0
  O  O26  1  0.823  0.011  0.879  1.0
  O  O27  1  0.973  0.967  0.877  1.0
  O  O28  1  0.569  0.374  0.379  1.0
  O  O29  1  0.124  0.244  0.877  1.0
  O  O30  1  0.644  0.723  0.377  1.0
  O  O31  1  0.011  0.823  0.379  1.0
  O  O32  1  0.426  0.411  0.876  1.0
  O  O33  1  0.575  0.366  0.878  1.0
  O  O34  1  0.178  0.780  0.367  1.0
  O  O35  1  0.723  0.644  0.877  1.0
  O  O36  1  0.244  0.124  0.377  1.0
  O  O37  1  0.613  0.226  0.365  1.0
  O  O38  1  0.026  0.810  0.881  1.0
  O  O39  1  0.179  0.769  0.871  1.0
  O  O40  1  0.769  0.179  0.371  1.0
  O  O41  1  0.325  0.042  0.881  1.0
  O  O42  1  0.849  0.518  0.387  1.0
  O  O43  1  0.215  0.635  0.366  1.0
  O  O44  1  0.635  0.215  0.866  1.0
  O  O45  1  0.780  0.178  0.867  1.0
  O  O46  1  0.930  0.452  0.854  1.0
  O  O47  1  0.452  0.930  0.354  1.0
  O  O48  1  0.226  0.613  0.865  1.0
  O  O49  1  0.518  0.849  0.887  1.0
[/CIF]
.
The material described by Zr4FePb4BiO15 crystallizes in the monoclinic Cc space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(3), one O(8), one O(9), and two equivalent O(6) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. In the second Zr site, Zr(2) is bonded to one O(1), one O(11), one O(13), one O(14), one O(3), and one O(5) atom to form ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Zr(4)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-24°. In the third Zr site, Zr(3) is bonded to one O(2), one O(7), one O(8), one O(9), and two equivalent O(4) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. In the fourth Zr site, Zr(4) is bonded to one O(10), one O(12), one O(13), one O(2), one O(5), and one O(7) atom to form ZrO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with two equivalent Zr(3)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-24°. Fe(1) is bonded to one O(10), one O(11), one O(12), one O(14), and two equivalent O(15) atoms to form distorted FeO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with two equivalent Zr(4)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(5), and one O(8) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(6), one O(7), and two equivalent O(9) atoms. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(2), and one O(3) atom. In the fourth Pb site, Pb(4) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(7), one O(8), and two equivalent O(4) atoms. Bi(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), and two equivalent O(14) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), one Pb(2), and one Pb(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Zr(3), one Zr(4), one Pb(1), and one Pb(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), one Pb(2), and one Pb(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Zr(3) and two equivalent Pb(4) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(4), one Pb(1), and one Pb(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Zr(1), one Pb(2), and one Pb(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Zr(3), one Zr(4), one Pb(2), and one Pb(4) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Zr(1), one Zr(3), one Pb(1), and one Pb(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(3), and two equivalent Pb(2) atoms. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Zr(4), one Fe(1), one Pb(1), and one Bi(1) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Zr(2), one Fe(1), one Pb(1), and one Pb(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Zr(4), one Fe(1), one Pb(1), and one Bi(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(4), one Pb(3), and one Bi(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Zr(2), one Fe(1), and two equivalent Bi(1) atoms. In the fifteenth O site, O(15) is bonded in a distorted see-saw-like geometry to two equivalent Fe(1), one Pb(3), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr4FeBiPb4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.523
_cell_length_b   15.523
_cell_length_c   5.943
_cell_angle_alpha   79.241
_cell_angle_beta   79.241
_cell_angle_gamma   141.610
_symmetry_Int_Tables_number   1
_cell_volume   732.024
_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
  Zr  Zr0  1  0.375  0.476  0.671  1.0
  Zr  Zr1  1  0.274  0.574  0.165  1.0
  Zr  Zr2  1  0.977  0.875  0.671  1.0
  Zr  Zr3  1  0.875  0.977  0.171  1.0
  Zr  Zr4  1  0.574  0.274  0.665  1.0
  Zr  Zr5  1  0.476  0.375  0.171  1.0
  Zr  Zr6  1  0.075  0.774  0.166  1.0
  Zr  Zr7  1  0.774  0.075  0.666  1.0
  Fe  Fe8  1  0.174  0.675  0.684  1.0
  Fe  Fe9  1  0.675  0.174  0.184  1.0
  Bi  Bi10  1  0.390  0.888  0.041  1.0
  Bi  Bi11  1  0.888  0.390  0.541  1.0
  Pb  Pb12  1  0.000  0.311  0.983  1.0
  Pb  Pb13  1  0.606  0.705  0.984  1.0
  Pb  Pb14  1  0.496  0.805  0.481  1.0
  Pb  Pb15  1  0.204  0.105  0.986  1.0
  Pb  Pb16  1  0.105  0.204  0.486  1.0
  Pb  Pb17  1  0.805  0.496  0.981  1.0
  Pb  Pb18  1  0.705  0.606  0.484  1.0
  Pb  Pb19  1  0.311  0.000  0.483  1.0
  O  O20  1  0.366  0.575  0.378  1.0
  O  O21  1  0.810  0.026  0.381  1.0
  O  O22  1  0.374  0.569  0.879  1.0
  O  O23  1  0.967  0.973  0.377  1.0
  O  O24  1  0.042  0.325  0.381  1.0
  O  O25  1  0.411  0.426  0.376  1.0
  O  O26  1  0.823  0.011  0.879  1.0
  O  O27  1  0.973  0.967  0.877  1.0
  O  O28  1  0.569  0.374  0.379  1.0
  O  O29  1  0.124  0.244  0.877  1.0
  O  O30  1  0.644  0.723  0.377  1.0
  O  O31  1  0.011  0.823  0.379  1.0
  O  O32  1  0.426  0.411  0.876  1.0
  O  O33  1  0.575  0.366  0.878  1.0
  O  O34  1  0.178  0.780  0.367  1.0
  O  O35  1  0.723  0.644  0.877  1.0
  O  O36  1  0.244  0.124  0.377  1.0
  O  O37  1  0.613  0.226  0.365  1.0
  O  O38  1  0.026  0.810  0.881  1.0
  O  O39  1  0.179  0.769  0.871  1.0
  O  O40  1  0.769  0.179  0.371  1.0
  O  O41  1  0.325  0.042  0.881  1.0
  O  O42  1  0.849  0.518  0.387  1.0
  O  O43  1  0.215  0.635  0.366  1.0
  O  O44  1  0.635  0.215  0.866  1.0
  O  O45  1  0.780  0.178  0.867  1.0
  O  O46  1  0.930  0.452  0.854  1.0
  O  O47  1  0.452  0.930  0.354  1.0
  O  O48  1  0.226  0.613  0.865  1.0
  O  O49  1  0.518  0.849  0.887  1.0
[/CIF]
.