The structure described by Fe3PbP2O14 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the second Fe site, Fe(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Pb(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-58°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. Pb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form distorted PbO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with two equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-71°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(3), one Pb(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(3), one Pb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(2) and one Pb(1) atom. is represented by the CIF file [CIF]
data_Fe3P2PbO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   6.958
_cell_length_c   7.152
_cell_angle_alpha   89.744
_cell_angle_beta   91.357
_cell_angle_gamma   110.800
_symmetry_Int_Tables_number   1
_cell_volume   249.259
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  P  P3  1  0.415  0.342  0.765  1.0
  P  P4  1  0.585  0.658  0.235  1.0
  Pb  Pb5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.357  0.182  0.924  1.0
  O  O7  1  0.643  0.818  0.076  1.0
  O  O8  1  0.252  0.489  0.795  1.0
  O  O9  1  0.748  0.511  0.205  1.0
  O  O10  1  0.723  0.464  0.774  1.0
  O  O11  1  0.277  0.536  0.226  1.0
  O  O12  1  0.335  0.255  0.566  1.0
  O  O13  1  0.665  0.745  0.434  1.0
  O  O14  1  0.123  0.027  0.251  1.0
  O  O15  1  0.877  0.973  0.749  1.0
  O  O16  1  0.113  0.780  0.967  1.0
  O  O17  1  0.887  0.220  0.033  1.0
  O  O18  1  0.814  0.188  0.462  1.0
  O  O19  1  0.186  0.812  0.538  1.0
[/CIF]
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The structure described by Fe3PbP2O14 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the second Fe site, Fe(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Pb(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-58°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. Pb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form distorted PbO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with two equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-71°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(3), one Pb(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(3), one Pb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Fe(2) and one Pb(1) atom. is represented by the CIF file [CIF]
data_Fe3P2PbO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.359
_cell_length_b   6.958
_cell_length_c   7.152
_cell_angle_alpha   89.744
_cell_angle_beta   91.357
_cell_angle_gamma   110.800
_symmetry_Int_Tables_number   1
_cell_volume   249.259
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  P  P3  1  0.415  0.342  0.765  1.0
  P  P4  1  0.585  0.658  0.235  1.0
  Pb  Pb5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.357  0.182  0.924  1.0
  O  O7  1  0.643  0.818  0.076  1.0
  O  O8  1  0.252  0.489  0.795  1.0
  O  O9  1  0.748  0.511  0.205  1.0
  O  O10  1  0.723  0.464  0.774  1.0
  O  O11  1  0.277  0.536  0.226  1.0
  O  O12  1  0.335  0.255  0.566  1.0
  O  O13  1  0.665  0.745  0.434  1.0
  O  O14  1  0.123  0.027  0.251  1.0
  O  O15  1  0.877  0.973  0.749  1.0
  O  O16  1  0.113  0.780  0.967  1.0
  O  O17  1  0.887  0.220  0.033  1.0
  O  O18  1  0.814  0.188  0.462  1.0
  O  O19  1  0.186  0.812  0.538  1.0
[/CIF]
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