Ti13Pb3 crystallizes in the orthorhombic Pmm2 space group. There are nine inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(9), four equivalent Ti(7), and two equivalent Pb(2) atoms to form distorted TiTi10Pb2 cuboctahedra that share corners with two equivalent Ti(1)Ti10Pb2 cuboctahedra, corners with four equivalent Pb(2)Ti12 cuboctahedra, edges with two equivalent Pb(3)Ti12 cuboctahedra, edges with four equivalent Pb(1)Ti12 cuboctahedra, faces with two equivalent Ti(1)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(9)Ti12 cuboctahedra, faces with two equivalent Pb(2)Ti12 cuboctahedra, and faces with four equivalent Ti(5)Ti10Pb2 cuboctahedra. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to four equivalent Ti(8), two equivalent Pb(1), and two equivalent Pb(3) atoms. In the third Ti site, Ti(3) is bonded in a distorted linear geometry to one Ti(1), two equivalent Ti(5), two equivalent Ti(8), two equivalent Ti(9), one Pb(2), and one Pb(3) atom. In the fourth Ti site, Ti(4) is bonded in a distorted see-saw-like geometry to one Ti(1), two equivalent Ti(7), one Pb(2), one Pb(3), and two equivalent Pb(1) atoms. In the fifth Ti site, Ti(5) is bonded to two equivalent Ti(7), two equivalent Ti(8), two equivalent Ti(9), four equivalent Ti(3), and two equivalent Pb(2) atoms to form distorted TiTi10Pb2 cuboctahedra that share corners with two equivalent Ti(5)Ti10Pb2 cuboctahedra, corners with four equivalent Ti(9)Ti12 cuboctahedra, edges with two equivalent Pb(1)Ti12 cuboctahedra, edges with four equivalent Pb(3)Ti12 cuboctahedra, faces with two equivalent Ti(5)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(9)Ti12 cuboctahedra, faces with two equivalent Pb(2)Ti12 cuboctahedra, and faces with four equivalent Ti(1)Ti10Pb2 cuboctahedra. In the sixth Ti site, Ti(6) is bonded in a distorted see-saw-like geometry to two equivalent Ti(7), two equivalent Ti(8), two equivalent Pb(1), and two equivalent Pb(3) atoms. In the seventh Ti site, Ti(7) is bonded in a 12-coordinate geometry to one Ti(5), one Ti(6), one Ti(9), two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(7), one Pb(1), and two equivalent Pb(2) atoms. In the eighth Ti site, Ti(8) is bonded in a 12-coordinate geometry to one Ti(5), one Ti(6), one Ti(9), two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(8), one Pb(1), and two equivalent Pb(3) atoms. In the ninth Ti site, Ti(9) is bonded to two equivalent Ti(1), two equivalent Ti(5), two equivalent Ti(7), two equivalent Ti(8), and four equivalent Ti(3) atoms to form TiTi12 cuboctahedra that share corners with two equivalent Ti(9)Ti12 cuboctahedra, corners with four equivalent Ti(5)Ti10Pb2 cuboctahedra, corners with four equivalent Pb(1)Ti12 cuboctahedra, faces with two equivalent Ti(1)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(5)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(9)Ti12 cuboctahedra, faces with two equivalent Pb(3)Ti12 cuboctahedra, and faces with four equivalent Pb(2)Ti12 cuboctahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to two equivalent Ti(2), two equivalent Ti(6), two equivalent Ti(7), two equivalent Ti(8), and four equivalent Ti(4) atoms to form PbTi12 cuboctahedra that share corners with two equivalent Pb(1)Ti12 cuboctahedra, corners with four equivalent Ti(9)Ti12 cuboctahedra, edges with two equivalent Ti(5)Ti10Pb2 cuboctahedra, edges with four equivalent Ti(1)Ti10Pb2 cuboctahedra, faces with two equivalent Pb(1)Ti12 cuboctahedra, faces with two equivalent Pb(2)Ti12 cuboctahedra, and faces with four equivalent Pb(3)Ti12 cuboctahedra. In the second Pb site, Pb(2) is bonded to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(5), and four equivalent Ti(7) atoms to form PbTi12 cuboctahedra that share corners with two equivalent Pb(2)Ti12 cuboctahedra, corners with four equivalent Ti(1)Ti10Pb2 cuboctahedra, corners with four equivalent Pb(3)Ti12 cuboctahedra, faces with two equivalent Ti(1)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(5)Ti10Pb2 cuboctahedra, faces with two equivalent Pb(1)Ti12 cuboctahedra, faces with two equivalent Pb(2)Ti12 cuboctahedra, and faces with four equivalent Ti(9)Ti12 cuboctahedra. In the third Pb site, Pb(3) is bonded to two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(6), and four equivalent Ti(8) atoms to form PbTi12 cuboctahedra that share corners with two equivalent Pb(3)Ti12 cuboctahedra, corners with four equivalent Pb(2)Ti12 cuboctahedra, edges with two equivalent Ti(1)Ti10Pb2 cuboctahedra, edges with four equivalent Ti(5)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(9)Ti12 cuboctahedra, faces with two equivalent Pb(3)Ti12 cuboctahedra, and faces with four equivalent Pb(1)Ti12 cuboctahedra.
Ti13Pb3 crystallizes in the orthorhombic Pmm2 space group. There are nine inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(9), four equivalent Ti(7), and two equivalent Pb(2) atoms to form distorted TiTi10Pb2 cuboctahedra that share corners with two equivalent Ti(1)Ti10Pb2 cuboctahedra, corners with four equivalent Pb(2)Ti12 cuboctahedra, edges with two equivalent Pb(3)Ti12 cuboctahedra, edges with four equivalent Pb(1)Ti12 cuboctahedra, faces with two equivalent Ti(1)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(9)Ti12 cuboctahedra, faces with two equivalent Pb(2)Ti12 cuboctahedra, and faces with four equivalent Ti(5)Ti10Pb2 cuboctahedra. Both Ti(1)-Ti(3) bond lengths are 2.91 Å. Both Ti(1)-Ti(4) bond lengths are 2.89 Å. Both Ti(1)-Ti(9) bond lengths are 2.93 Å. All Ti(1)-Ti(7) bond lengths are 2.88 Å. Both Ti(1)-Pb(2) bond lengths are 3.00 Å. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to four equivalent Ti(8), two equivalent Pb(1), and two equivalent Pb(3) atoms. All Ti(2)-Ti(8) bond lengths are 2.96 Å. Both Ti(2)-Pb(1) bond lengths are 3.04 Å. Both Ti(2)-Pb(3) bond lengths are 3.00 Å. In the third Ti site, Ti(3) is bonded in a distorted linear geometry to one Ti(1), two equivalent Ti(5), two equivalent Ti(8), two equivalent Ti(9), one Pb(2), and one Pb(3) atom. Both Ti(3)-Ti(5) bond lengths are 2.94 Å. Both Ti(3)-Ti(8) bond lengths are 2.90 Å. Both Ti(3)-Ti(9) bond lengths are 2.92 Å. The Ti(3)-Pb(2) bond length is 2.97 Å. The Ti(3)-Pb(3) bond length is 3.00 Å. In the fourth Ti site, Ti(4) is bonded in a distorted see-saw-like geometry to one Ti(1), two equivalent Ti(7), one Pb(2), one Pb(3), and two equivalent Pb(1) atoms. Both Ti(4)-Ti(7) bond lengths are 2.96 Å. The Ti(4)-Pb(2) bond length is 2.95 Å. The Ti(4)-Pb(3) bond length is 2.99 Å. Both Ti(4)-Pb(1) bond lengths are 3.01 Å. In the fifth Ti site, Ti(5) is bonded to two equivalent Ti(7), two equivalent Ti(8), two equivalent Ti(9), four equivalent Ti(3), and two equivalent Pb(2) atoms to form distorted TiTi10Pb2 cuboctahedra that share corners with two equivalent Ti(5)Ti10Pb2 cuboctahedra, corners with four equivalent Ti(9)Ti12 cuboctahedra, edges with two equivalent Pb(1)Ti12 cuboctahedra, edges with four equivalent Pb(3)Ti12 cuboctahedra, faces with two equivalent Ti(5)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(9)Ti12 cuboctahedra, faces with two equivalent Pb(2)Ti12 cuboctahedra, and faces with four equivalent Ti(1)Ti10Pb2 cuboctahedra. Both Ti(5)-Ti(7) bond lengths are 3.04 Å. Both Ti(5)-Ti(8) bond lengths are 2.81 Å. Both Ti(5)-Ti(9) bond lengths are 3.00 Å. Both Ti(5)-Pb(2) bond lengths are 3.02 Å. In the sixth Ti site, Ti(6) is bonded in a distorted see-saw-like geometry to two equivalent Ti(7), two equivalent Ti(8), two equivalent Pb(1), and two equivalent Pb(3) atoms. Both Ti(6)-Ti(7) bond lengths are 2.97 Å. Both Ti(6)-Ti(8) bond lengths are 3.10 Å. Both Ti(6)-Pb(1) bond lengths are 3.00 Å. Both Ti(6)-Pb(3) bond lengths are 2.96 Å. In the seventh Ti site, Ti(7) is bonded in a 12-coordinate geometry to one Ti(5), one Ti(6), one Ti(9), two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(7), one Pb(1), and two equivalent Pb(2) atoms. The Ti(7)-Ti(9) bond length is 2.83 Å. There is one shorter (2.81 Å) and one longer (3.19 Å) Ti(7)-Ti(7) bond length. The Ti(7)-Pb(1) bond length is 3.12 Å. Both Ti(7)-Pb(2) bond lengths are 2.98 Å. In the eighth Ti site, Ti(8) is bonded in a 12-coordinate geometry to one Ti(5), one Ti(6), one Ti(9), two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(8), one Pb(1), and two equivalent Pb(3) atoms. The Ti(8)-Ti(9) bond length is 2.88 Å. There is one shorter (2.91 Å) and one longer (3.09 Å) Ti(8)-Ti(8) bond length. The Ti(8)-Pb(1) bond length is 3.09 Å. Both Ti(8)-Pb(3) bond lengths are 2.97 Å. In the ninth Ti site, Ti(9) is bonded to two equivalent Ti(1), two equivalent Ti(5), two equivalent Ti(7), two equivalent Ti(8), and four equivalent Ti(3) atoms to form TiTi12 cuboctahedra that share corners with two equivalent Ti(9)Ti12 cuboctahedra, corners with four equivalent Ti(5)Ti10Pb2 cuboctahedra, corners with four equivalent Pb(1)Ti12 cuboctahedra, faces with two equivalent Ti(1)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(5)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(9)Ti12 cuboctahedra, faces with two equivalent Pb(3)Ti12 cuboctahedra, and faces with four equivalent Pb(2)Ti12 cuboctahedra. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to two equivalent Ti(2), two equivalent Ti(6), two equivalent Ti(7), two equivalent Ti(8), and four equivalent Ti(4) atoms to form PbTi12 cuboctahedra that share corners with two equivalent Pb(1)Ti12 cuboctahedra, corners with four equivalent Ti(9)Ti12 cuboctahedra, edges with two equivalent Ti(5)Ti10Pb2 cuboctahedra, edges with four equivalent Ti(1)Ti10Pb2 cuboctahedra, faces with two equivalent Pb(1)Ti12 cuboctahedra, faces with two equivalent Pb(2)Ti12 cuboctahedra, and faces with four equivalent Pb(3)Ti12 cuboctahedra. In the second Pb site, Pb(2) is bonded to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(5), and four equivalent Ti(7) atoms to form PbTi12 cuboctahedra that share corners with two equivalent Pb(2)Ti12 cuboctahedra, corners with four equivalent Ti(1)Ti10Pb2 cuboctahedra, corners with four equivalent Pb(3)Ti12 cuboctahedra, faces with two equivalent Ti(1)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(5)Ti10Pb2 cuboctahedra, faces with two equivalent Pb(1)Ti12 cuboctahedra, faces with two equivalent Pb(2)Ti12 cuboctahedra, and faces with four equivalent Ti(9)Ti12 cuboctahedra. In the third Pb site, Pb(3) is bonded to two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(6), and four equivalent Ti(8) atoms to form PbTi12 cuboctahedra that share corners with two equivalent Pb(3)Ti12 cuboctahedra, corners with four equivalent Pb(2)Ti12 cuboctahedra, edges with two equivalent Ti(1)Ti10Pb2 cuboctahedra, edges with four equivalent Ti(5)Ti10Pb2 cuboctahedra, faces with two equivalent Ti(9)Ti12 cuboctahedra, faces with two equivalent Pb(3)Ti12 cuboctahedra, and faces with four equivalent Pb(1)Ti12 cuboctahedra.