Nb3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(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 NbN4 tetrahedra. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the third Nb site, Nb(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form corner-sharing NbN4 tetrahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a single-bond geometry to one N(2) atom. In the second Pb site, Pb(2) is bonded in a distorted single-bond geometry to one N(5) atom. In the third Pb site, Pb(3) is bonded in a single-bond geometry to one N(3) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(3), and one Pb(1) atom. In the third N site, N(3) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one Pb(3) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Nb(3) and two equivalent Nb(2) atoms. In the fifth N site, N(5) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Pb(2) atom.
Nb3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(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 NbN4 tetrahedra. The Nb(1)-N(1) bond length is 2.03 Å. The Nb(1)-N(5) bond length is 1.98 Å. There is one shorter (1.93 Å) and one longer (2.04 Å) Nb(1)-N(3) bond length. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to one N(1), one N(2), and two equivalent N(4) atoms. The Nb(2)-N(1) bond length is 2.07 Å. The Nb(2)-N(2) bond length is 1.99 Å. There is one shorter (1.99 Å) and one longer (2.15 Å) Nb(2)-N(4) bond length. In the third Nb site, Nb(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form corner-sharing NbN4 tetrahedra. The Nb(3)-N(1) bond length is 2.00 Å. The Nb(3)-N(2) bond length is 1.94 Å. The Nb(3)-N(4) bond length is 2.04 Å. The Nb(3)-N(5) bond length is 1.97 Å. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a single-bond geometry to one N(2) atom. The Pb(1)-N(2) bond length is 2.47 Å. In the second Pb site, Pb(2) is bonded in a distorted single-bond geometry to one N(5) atom. The Pb(2)-N(5) bond length is 2.42 Å. In the third Pb site, Pb(3) is bonded in a single-bond geometry to one N(3) atom. The Pb(3)-N(3) bond length is 2.39 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(3), and one Pb(1) atom. In the third N site, N(3) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one Pb(3) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Nb(3) and two equivalent Nb(2) atoms. In the fifth N site, N(5) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(3), and one Pb(2) atom.