Ba5Al5Pb crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent Al(1), three equivalent Al(2), and three equivalent Pb(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to three equivalent Al(1), six equivalent Al(2), and one Pb(1) atom. In the third Ba site, Ba(3) is bonded to two equivalent Al(1) and three equivalent Pb(1) atoms to form corner-sharing BaAl2Pb3 trigonal bipyramids. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Ba(3), three equivalent Ba(1), three equivalent Ba(2), and three equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), two equivalent Al(1), and two equivalent Al(2) atoms. Pb(1) is bonded to two equivalent Ba(2), three equivalent Ba(3), and six equivalent Ba(1) atoms to form distorted face-sharing PbBa11 trigonal bipyramids.
Ba5Al5Pb crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent Al(1), three equivalent Al(2), and three equivalent Pb(1) atoms. All Ba(1)-Al(1) bond lengths are 3.79 Å. All Ba(1)-Al(2) bond lengths are 3.76 Å. All Ba(1)-Pb(1) bond lengths are 4.19 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to three equivalent Al(1), six equivalent Al(2), and one Pb(1) atom. All Ba(2)-Al(1) bond lengths are 3.52 Å. All Ba(2)-Al(2) bond lengths are 3.61 Å. The Ba(2)-Pb(1) bond length is 3.72 Å. In the third Ba site, Ba(3) is bonded to two equivalent Al(1) and three equivalent Pb(1) atoms to form corner-sharing BaAl2Pb3 trigonal bipyramids. Both Ba(3)-Al(1) bond lengths are 3.69 Å. All Ba(3)-Pb(1) bond lengths are 3.52 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Ba(3), three equivalent Ba(1), three equivalent Ba(2), and three equivalent Al(2) atoms. All Al(1)-Al(2) bond lengths are 2.72 Å. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), two equivalent Al(1), and two equivalent Al(2) atoms. Both Al(2)-Al(2) bond lengths are 2.85 Å. Pb(1) is bonded to two equivalent Ba(2), three equivalent Ba(3), and six equivalent Ba(1) atoms to form distorted face-sharing PbBa11 trigonal bipyramids.