Ba5Al5Sn 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 16-coordinate geometry to one Ba(1), three equivalent Ba(2), three equivalent Ba(3), three equivalent Al(1), three equivalent Al(2), and three equivalent Sn(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to three equivalent Ba(1), three equivalent Al(2), six equivalent Al(1), and one Sn(1) atom. In the third Ba site, Ba(3) is bonded to six equivalent Ba(1), two equivalent Al(2), and three equivalent Sn(1) atoms to form BaBa6Al2Sn3 trigonal bipyramids that share edges with three equivalent Sn(1)Ba11 trigonal bipyramids, faces with three equivalent Sn(1)Ba11 trigonal bipyramids, and faces with six equivalent Ba(3)Ba6Al2Sn3 trigonal bipyramids. There are two inequivalent Al sites. In the first Al site, Al(1) 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. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Ba(3), three equivalent Ba(1), three equivalent Ba(2), and three equivalent Al(1) atoms. Sn(1) is bonded to two equivalent Ba(2), three equivalent Ba(3), and six equivalent Ba(1) atoms to form distorted SnBa11 trigonal bipyramids that share edges with three equivalent Ba(3)Ba6Al2Sn3 trigonal bipyramids, faces with three equivalent Ba(3)Ba6Al2Sn3 trigonal bipyramids, and faces with six equivalent Sn(1)Ba11 trigonal bipyramids.
Ba5Al5Sn 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 16-coordinate geometry to one Ba(1), three equivalent Ba(2), three equivalent Ba(3), three equivalent Al(1), three equivalent Al(2), and three equivalent Sn(1) atoms. The Ba(1)-Ba(1) bond length is 4.52 Å. All Ba(1)-Ba(2) bond lengths are 3.79 Å. All Ba(1)-Ba(3) bond lengths are 4.17 Å. All Ba(1)-Al(1) bond lengths are 3.76 Å. All Ba(1)-Al(2) bond lengths are 3.78 Å. All Ba(1)-Sn(1) bond lengths are 4.17 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to three equivalent Ba(1), three equivalent Al(2), six equivalent Al(1), and one Sn(1) atom. All Ba(2)-Al(2) bond lengths are 3.51 Å. All Ba(2)-Al(1) bond lengths are 3.61 Å. The Ba(2)-Sn(1) bond length is 3.70 Å. In the third Ba site, Ba(3) is bonded to six equivalent Ba(1), two equivalent Al(2), and three equivalent Sn(1) atoms to form BaBa6Al2Sn3 trigonal bipyramids that share edges with three equivalent Sn(1)Ba11 trigonal bipyramids, faces with three equivalent Sn(1)Ba11 trigonal bipyramids, and faces with six equivalent Ba(3)Ba6Al2Sn3 trigonal bipyramids. Both Ba(3)-Al(2) bond lengths are 3.68 Å. All Ba(3)-Sn(1) bond lengths are 3.51 Å. There are two inequivalent Al sites. In the first Al site, Al(1) 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(1)-Al(1) bond lengths are 2.84 Å. Both Al(1)-Al(2) bond lengths are 2.71 Å. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Ba(3), three equivalent Ba(1), three equivalent Ba(2), and three equivalent Al(1) atoms. Sn(1) is bonded to two equivalent Ba(2), three equivalent Ba(3), and six equivalent Ba(1) atoms to form distorted SnBa11 trigonal bipyramids that share edges with three equivalent Ba(3)Ba6Al2Sn3 trigonal bipyramids, faces with three equivalent Ba(3)Ba6Al2Sn3 trigonal bipyramids, and faces with six equivalent Sn(1)Ba11 trigonal bipyramids.