Fe3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. In the second Fe site, Fe(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. In the third Fe site, Fe(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing FeN4 tetrahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted L-shaped geometry to one N(2) and one N(3) atom. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to one N(3) and one N(5) atom. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), and one Pb(3) atom. In the second N site, N(2) is bonded in a distorted L-shaped geometry to one Fe(2), one Fe(3), one Pb(1), and one Pb(3) atom. In the third N site, N(3) is bonded in a distorted L-shaped geometry to two equivalent Fe(1), one Pb(1), one Pb(2), and two equivalent Pb(3) atoms. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Fe(3), two equivalent Fe(2), and one Pb(3) atom. In the fifth N site, N(5) is bonded in a distorted bent 150 degrees geometry to one Fe(1), one Fe(3), and one Pb(2) atom.
Fe3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. The Fe(1)-N(1) bond length is 1.82 Å. The Fe(1)-N(5) bond length is 1.75 Å. There is one shorter (1.87 Å) and one longer (1.90 Å) Fe(1)-N(3) bond length. In the second Fe site, Fe(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. The Fe(2)-N(1) bond length is 1.91 Å. The Fe(2)-N(2) bond length is 1.78 Å. There is one shorter (1.84 Å) and one longer (1.90 Å) Fe(2)-N(4) bond length. In the third Fe site, Fe(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing FeN4 tetrahedra. The Fe(3)-N(1) bond length is 1.94 Å. The Fe(3)-N(2) bond length is 1.80 Å. The Fe(3)-N(4) bond length is 1.89 Å. The Fe(3)-N(5) bond length is 1.81 Å. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted L-shaped geometry to one N(2) and one N(3) atom. The Pb(1)-N(2) bond length is 2.44 Å. The Pb(1)-N(3) bond length is 2.79 Å. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to one N(3) and one N(5) atom. The Pb(2)-N(3) bond length is 2.64 Å. The Pb(2)-N(5) bond length is 2.60 Å. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. The Pb(3)-N(1) bond length is 2.58 Å. The Pb(3)-N(2) bond length is 2.79 Å. The Pb(3)-N(4) bond length is 2.83 Å. There is one shorter (2.61 Å) and one longer (2.64 Å) Pb(3)-N(3) bond length. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), and one Pb(3) atom. In the second N site, N(2) is bonded in a distorted L-shaped geometry to one Fe(2), one Fe(3), one Pb(1), and one Pb(3) atom. In the third N site, N(3) is bonded in a distorted L-shaped geometry to two equivalent Fe(1), one Pb(1), one Pb(2), and two equivalent Pb(3) atoms. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Fe(3), two equivalent Fe(2), and one Pb(3) atom. In the fifth N site, N(5) is bonded in a distorted bent 150 degrees geometry to one Fe(1), one Fe(3), and one Pb(2) atom.