Fe3Pb(SO7)2 crystallizes in the trigonal R-3m space group. Fe(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and faces with two equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. Pb(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form distorted PbO12 cuboctahedra that share corners with six equivalent S(1)O4 tetrahedra and faces with six equivalent Fe(1)O6 octahedra. S(1) is bonded to one O(1) and three equivalent O(2) atoms to form SO4 tetrahedra that share corners with three equivalent Pb(1)O12 cuboctahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1), one Pb(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(1) and one Pb(1) atom.
Fe3Pb(SO7)2 crystallizes in the trigonal R-3m space group. Fe(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent S(1)O4 tetrahedra, and faces with two equivalent Pb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. Both Fe(1)-O(2) bond lengths are 2.12 Å. All Fe(1)-O(3) bond lengths are 1.88 Å. Pb(1) is bonded to six equivalent O(2) and six equivalent O(3) atoms to form distorted PbO12 cuboctahedra that share corners with six equivalent S(1)O4 tetrahedra and faces with six equivalent Fe(1)O6 octahedra. All Pb(1)-O(2) bond lengths are 2.78 Å. All Pb(1)-O(3) bond lengths are 2.86 Å. S(1) is bonded to one O(1) and three equivalent O(2) atoms to form SO4 tetrahedra that share corners with three equivalent Pb(1)O12 cuboctahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The S(1)-O(1) bond length is 1.44 Å. All S(1)-O(2) bond lengths are 1.51 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1), one Pb(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(1) and one Pb(1) atom.