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.
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°. Both Fe(1)-O(1) bond lengths are 1.97 Å. Both Fe(1)-O(5) bond lengths are 1.89 Å. Both Fe(1)-O(6) bond lengths are 1.85 Å. 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°. Both Fe(2)-O(4) bond lengths are 2.07 Å. Both Fe(2)-O(5) bond lengths are 1.90 Å. Both Fe(2)-O(7) bond lengths are 1.92 Å. 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°. Both Fe(3)-O(2) bond lengths are 2.04 Å. Both Fe(3)-O(3) bond lengths are 2.12 Å. Both Fe(3)-O(6) bond lengths are 1.84 Å. 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°. Both Pb(1)-O(2) bond lengths are 2.49 Å. Both Pb(1)-O(3) bond lengths are 2.44 Å. Both Pb(1)-O(7) bond lengths are 2.06 Å. 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°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.58 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.54 Å. 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.