Fe7Pb7F34 crystallizes in the monoclinic C2/m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(10) and four equivalent F(5) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 31°. In the second Fe site, Fe(2) is bonded to one F(8), one F(9), two equivalent F(6), and two equivalent F(7) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 40°. In the third Fe site, Fe(3) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 31-40°. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to two equivalent F(9) and four equivalent F(1) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one F(8), two equivalent F(1), and two equivalent F(2) atoms. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one F(10), one F(2), one F(3), one F(4), and two equivalent F(7) atoms. There are ten inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3), one Pb(2), and one Pb(3) atom. In the second F site, F(3) is bonded in a distorted single-bond geometry to one Fe(3) and one Pb(3) atom. In the third F site, F(4) is bonded in a 2-coordinate geometry to one Fe(3) and one Pb(3) atom. In the fourth F site, F(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(3) atom. In the fifth F site, F(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(3) atom. In the sixth F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Pb(3) atoms. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent Pb(3) atoms. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one Pb(2) atom. In the ninth F site, F(9) is bonded in a distorted linear geometry to one Fe(2) and one Pb(1) atom. In the tenth F site, F(1) is bonded in a 3-coordinate geometry to one Fe(3), one Pb(1), and one Pb(2) atom.
Fe7Pb7F34 crystallizes in the monoclinic C2/m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(10) and four equivalent F(5) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 31°. Both Fe(1)-F(10) bond lengths are 1.96 Å. All Fe(1)-F(5) bond lengths are 2.01 Å. In the second Fe site, Fe(2) is bonded to one F(8), one F(9), two equivalent F(6), and two equivalent F(7) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 40°. The Fe(2)-F(8) bond length is 2.02 Å. The Fe(2)-F(9) bond length is 1.88 Å. Both Fe(2)-F(6) bond lengths are 1.94 Å. Both Fe(2)-F(7) bond lengths are 1.93 Å. In the third Fe site, Fe(3) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 31-40°. The Fe(3)-F(1) bond length is 1.97 Å. The Fe(3)-F(2) bond length is 1.96 Å. The Fe(3)-F(3) bond length is 1.93 Å. The Fe(3)-F(4) bond length is 1.90 Å. The Fe(3)-F(5) bond length is 1.96 Å. The Fe(3)-F(6) bond length is 1.96 Å. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to two equivalent F(9) and four equivalent F(1) atoms. Both Pb(1)-F(9) bond lengths are 2.50 Å. All Pb(1)-F(1) bond lengths are 2.60 Å. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one F(8), two equivalent F(1), and two equivalent F(2) atoms. The Pb(2)-F(8) bond length is 2.45 Å. Both Pb(2)-F(1) bond lengths are 2.46 Å. Both Pb(2)-F(2) bond lengths are 2.55 Å. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one F(10), one F(2), one F(3), one F(4), and two equivalent F(7) atoms. The Pb(3)-F(10) bond length is 2.57 Å. The Pb(3)-F(2) bond length is 2.41 Å. The Pb(3)-F(3) bond length is 2.47 Å. The Pb(3)-F(4) bond length is 2.46 Å. There is one shorter (2.50 Å) and one longer (2.65 Å) Pb(3)-F(7) bond length. There are ten inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3), one Pb(2), and one Pb(3) atom. In the second F site, F(3) is bonded in a distorted single-bond geometry to one Fe(3) and one Pb(3) atom. In the third F site, F(4) is bonded in a 2-coordinate geometry to one Fe(3) and one Pb(3) atom. In the fourth F site, F(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(3) atom. In the fifth F site, F(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one Fe(3) atom. In the sixth F site, F(10) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Pb(3) atoms. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent Pb(3) atoms. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one Pb(2) atom. In the ninth F site, F(9) is bonded in a distorted linear geometry to one Fe(2) and one Pb(1) atom. In the tenth F site, F(1) is bonded in a 3-coordinate geometry to one Fe(3), one Pb(1), and one Pb(2) atom.