Ti3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of edge and corner-sharing TiN4 tetrahedra. In the second Ti site, Ti(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted edge and corner-sharing TiN4 tetrahedra. In the third Ti site, Ti(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of edge and corner-sharing TiN4 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 2-coordinate geometry to two equivalent N(5) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one N(1) 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 Ti(1), one Ti(2), one Ti(3), and one Pb(3) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Ti(2), one Ti(3), and one Pb(1) atom. In the third N site, N(3) is bonded in a 2-coordinate geometry to two equivalent Ti(1) and two equivalent Pb(3) atoms. In the fourth N site, N(4) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(2) atoms. In the fifth N site, N(5) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), and two equivalent Pb(2) atoms.
Ti3Pb3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of edge and corner-sharing TiN4 tetrahedra. The Ti(1)-N(1) bond length is 1.97 Å. The Ti(1)-N(5) bond length is 1.97 Å. There is one shorter (1.92 Å) and one longer (1.97 Å) Ti(1)-N(3) bond length. In the second Ti site, Ti(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted edge and corner-sharing TiN4 tetrahedra. The Ti(2)-N(1) bond length is 1.96 Å. The Ti(2)-N(2) bond length is 1.87 Å. There is one shorter (1.96 Å) and one longer (1.98 Å) Ti(2)-N(4) bond length. In the third Ti site, Ti(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of edge and corner-sharing TiN4 tetrahedra. The Ti(3)-N(1) bond length is 2.10 Å. The Ti(3)-N(2) bond length is 1.91 Å. The Ti(3)-N(4) bond length is 1.96 Å. The Ti(3)-N(5) bond length is 1.91 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 2.31 Å. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to two equivalent N(5) atoms. There is one shorter (2.51 Å) and one longer (2.60 Å) Pb(2)-N(5) bond length. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(3) atoms. The Pb(3)-N(1) bond length is 2.58 Å. There is one shorter (2.54 Å) and one longer (2.78 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 Ti(1), one Ti(2), one Ti(3), and one Pb(3) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Ti(2), one Ti(3), and one Pb(1) atom. In the third N site, N(3) is bonded in a 2-coordinate geometry to two equivalent Ti(1) and two equivalent Pb(3) atoms. In the fourth N site, N(4) is bonded in a distorted T-shaped geometry to one Ti(3) and two equivalent Ti(2) atoms. In the fifth N site, N(5) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), and two equivalent Pb(2) atoms.