The compound described by Ba3Fe4PbP8O28 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(14), one O(2), one O(22), one O(23), one O(25), one O(3), and one O(5) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(15), one O(2), one O(22), one O(23), one O(28), one O(3), and one O(8) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(16), one O(21), one O(24), one O(27), one O(4), one O(7), and one O(9) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(24), one O(27), and one O(5) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(14), one O(2), one O(23), one O(28), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(15), one O(22), one O(25), one O(3), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(16), one O(21), one O(26), one O(4), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. Pb(1) is bonded in a 5-coordinate geometry to one O(12), one O(24), one O(26), one O(6), and one O(9) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(17), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(11), one O(14), one O(18), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one P(8)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(10), one O(15), one O(19), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(16), one O(20), one O(24), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O5 trigonal bipyramid. In the fifth P site, P(5) is bonded to one O(1), one O(19), one O(25), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, and corners with two equivalent Fe(1)O5 trigonal bipyramids. In the sixth P site, P(6) is bonded to one O(2), one O(20), one O(26), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and corners with two equivalent Fe(2)O5 trigonal bipyramids. In the seventh P site, P(7) is bonded to one O(17), one O(27), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and corners with two equivalent Fe(3)O5 trigonal bipyramids. In the eighth P site, P(8) is bonded to one O(18), one O(28), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and corners with two equivalent Fe(4)O5 trigonal bipyramids. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one Fe(1), and one P(5) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Fe(2), and one P(6) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Fe(3), and one P(7) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(3), one Fe(4), and one P(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Fe(1), and one P(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Fe(2), one Pb(1), and one P(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ba(3), one Fe(3), and one P(7) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(2), one Fe(4), and one P(8) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(3), one Pb(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(3), one Pb(1), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Fe(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Ba(2), one Fe(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Ba(3), one Fe(4), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one P(1) and one P(7) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one P(2) and one P(8) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one P(4) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Ba(3), one Fe(4), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Fe(3), and one P(2) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Fe(2), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Ba(3), one Fe(1), one Pb(1), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(3), and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 120 degrees geometry to one Fe(4), one Pb(1), and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Ba(3), one Fe(1), and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Ba(2), one Fe(2), and one P(8) atom. is represented by the CIF card [CIF]
data_Ba3Fe4P8PbO28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.591
_cell_length_b   8.535
_cell_length_c   13.011
_cell_angle_alpha   89.551
_cell_angle_beta   89.067
_cell_angle_gamma   89.939
_symmetry_Int_Tables_number   1
_cell_volume   620.751
_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
  Ba  Ba0  1  0.220  0.357  0.218  1.0
  Ba  Ba1  1  0.281  0.857  0.282  1.0
  Ba  Ba2  1  0.780  0.644  0.782  1.0
  Fe  Fe3  1  0.185  0.342  0.891  1.0
  Fe  Fe4  1  0.685  0.157  0.392  1.0
  Fe  Fe5  1  0.813  0.656  0.109  1.0
  Fe  Fe6  1  0.316  0.844  0.609  1.0
  P  P7  1  0.243  0.956  0.838  1.0
  P  P8  1  0.743  0.548  0.340  1.0
  P  P9  1  0.757  0.048  0.160  1.0
  P  P10  1  0.257  0.448  0.660  1.0
  P  P11  1  0.688  0.309  0.015  1.0
  P  P12  1  0.188  0.190  0.518  1.0
  P  P13  1  0.311  0.692  0.983  1.0
  P  P14  1  0.813  0.809  0.484  1.0
  Pb  Pb15  1  0.713  0.151  0.718  1.0
  O  O16  1  0.804  0.325  0.908  1.0
  O  O17  1  0.300  0.175  0.409  1.0
  O  O18  1  0.195  0.676  0.091  1.0
  O  O19  1  0.696  0.822  0.591  1.0
  O  O20  1  0.416  0.332  0.018  1.0
  O  O21  1  0.915  0.167  0.523  1.0
  O  O22  1  0.584  0.669  0.982  1.0
  O  O23  1  0.085  0.831  0.482  1.0
  O  O24  1  0.510  0.414  0.698  1.0
  O  O25  1  0.009  0.077  0.198  1.0
  O  O26  1  0.491  0.576  0.302  1.0
  O  O27  1  0.989  0.932  0.800  1.0
  O  O28  1  0.311  0.128  0.854  1.0
  O  O29  1  0.803  0.374  0.355  1.0
  O  O30  1  0.696  0.875  0.145  1.0
  O  O31  1  0.203  0.622  0.647  1.0
  O  O32  1  0.259  0.873  0.951  1.0
  O  O33  1  0.763  0.627  0.453  1.0
  O  O34  1  0.737  0.127  0.047  1.0
  O  O35  1  0.237  0.372  0.547  1.0
  O  O36  1  0.434  0.877  0.768  1.0
  O  O37  1  0.935  0.623  0.268  1.0
  O  O38  1  0.566  0.125  0.231  1.0
  O  O39  1  0.062  0.372  0.731  1.0
  O  O40  1  0.811  0.411  0.097  1.0
  O  O41  1  0.319  0.089  0.598  1.0
  O  O42  1  0.191  0.588  0.902  1.0
  O  O43  1  0.690  0.913  0.403  1.0
[/CIF]
.
The compound described by Ba3Fe4PbP8O28 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(14), one O(2), one O(22), one O(23), one O(25), one O(3), and one O(5) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(15), one O(2), one O(22), one O(23), one O(28), one O(3), and one O(8) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(16), one O(21), one O(24), one O(27), one O(4), one O(7), and one O(9) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(24), one O(27), and one O(5) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(14), one O(2), one O(23), one O(28), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(15), one O(22), one O(25), one O(3), and one O(7) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(16), one O(21), one O(26), one O(4), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. Pb(1) is bonded in a 5-coordinate geometry to one O(12), one O(24), one O(26), one O(6), and one O(9) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(17), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(11), one O(14), one O(18), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one P(8)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(10), one O(15), one O(19), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(16), one O(20), one O(24), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O5 trigonal bipyramid. In the fifth P site, P(5) is bonded to one O(1), one O(19), one O(25), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, and corners with two equivalent Fe(1)O5 trigonal bipyramids. In the sixth P site, P(6) is bonded to one O(2), one O(20), one O(26), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and corners with two equivalent Fe(2)O5 trigonal bipyramids. In the seventh P site, P(7) is bonded to one O(17), one O(27), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and corners with two equivalent Fe(3)O5 trigonal bipyramids. In the eighth P site, P(8) is bonded to one O(18), one O(28), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and corners with two equivalent Fe(4)O5 trigonal bipyramids. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one Fe(1), and one P(5) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Fe(2), and one P(6) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Fe(3), and one P(7) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(3), one Fe(4), and one P(8) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Fe(1), and one P(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Fe(2), one Pb(1), and one P(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ba(3), one Fe(3), and one P(7) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(2), one Fe(4), and one P(8) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(3), one Pb(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(3), one Pb(1), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Fe(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Ba(2), one Fe(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Ba(3), one Fe(4), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one P(1) and one P(7) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one P(2) and one P(8) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one P(4) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Ba(3), one Fe(4), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Fe(3), and one P(2) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Fe(2), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Ba(3), one Fe(1), one Pb(1), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(3), and one P(5) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 120 degrees geometry to one Fe(4), one Pb(1), and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one Ba(3), one Fe(1), and one P(7) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Ba(2), one Fe(2), and one P(8) atom. is represented by the CIF card [CIF]
data_Ba3Fe4P8PbO28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.591
_cell_length_b   8.535
_cell_length_c   13.011
_cell_angle_alpha   89.551
_cell_angle_beta   89.067
_cell_angle_gamma   89.939
_symmetry_Int_Tables_number   1
_cell_volume   620.751
_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
  Ba  Ba0  1  0.220  0.357  0.218  1.0
  Ba  Ba1  1  0.281  0.857  0.282  1.0
  Ba  Ba2  1  0.780  0.644  0.782  1.0
  Fe  Fe3  1  0.185  0.342  0.891  1.0
  Fe  Fe4  1  0.685  0.157  0.392  1.0
  Fe  Fe5  1  0.813  0.656  0.109  1.0
  Fe  Fe6  1  0.316  0.844  0.609  1.0
  P  P7  1  0.243  0.956  0.838  1.0
  P  P8  1  0.743  0.548  0.340  1.0
  P  P9  1  0.757  0.048  0.160  1.0
  P  P10  1  0.257  0.448  0.660  1.0
  P  P11  1  0.688  0.309  0.015  1.0
  P  P12  1  0.188  0.190  0.518  1.0
  P  P13  1  0.311  0.692  0.983  1.0
  P  P14  1  0.813  0.809  0.484  1.0
  Pb  Pb15  1  0.713  0.151  0.718  1.0
  O  O16  1  0.804  0.325  0.908  1.0
  O  O17  1  0.300  0.175  0.409  1.0
  O  O18  1  0.195  0.676  0.091  1.0
  O  O19  1  0.696  0.822  0.591  1.0
  O  O20  1  0.416  0.332  0.018  1.0
  O  O21  1  0.915  0.167  0.523  1.0
  O  O22  1  0.584  0.669  0.982  1.0
  O  O23  1  0.085  0.831  0.482  1.0
  O  O24  1  0.510  0.414  0.698  1.0
  O  O25  1  0.009  0.077  0.198  1.0
  O  O26  1  0.491  0.576  0.302  1.0
  O  O27  1  0.989  0.932  0.800  1.0
  O  O28  1  0.311  0.128  0.854  1.0
  O  O29  1  0.803  0.374  0.355  1.0
  O  O30  1  0.696  0.875  0.145  1.0
  O  O31  1  0.203  0.622  0.647  1.0
  O  O32  1  0.259  0.873  0.951  1.0
  O  O33  1  0.763  0.627  0.453  1.0
  O  O34  1  0.737  0.127  0.047  1.0
  O  O35  1  0.237  0.372  0.547  1.0
  O  O36  1  0.434  0.877  0.768  1.0
  O  O37  1  0.935  0.623  0.268  1.0
  O  O38  1  0.566  0.125  0.231  1.0
  O  O39  1  0.062  0.372  0.731  1.0
  O  O40  1  0.811  0.411  0.097  1.0
  O  O41  1  0.319  0.089  0.598  1.0
  O  O42  1  0.191  0.588  0.902  1.0
  O  O43  1  0.690  0.913  0.403  1.0
[/CIF]
.