Sm7Co6Al7 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 11-coordinate geometry to two equivalent Co(1), four equivalent Co(2), one Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. In the second Sm site, Sm(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), two equivalent Co(2), one Al(2), two equivalent Al(1), and four equivalent Al(3) atoms. In the third Sm site, Sm(3) is bonded in a distorted body-centered cubic geometry to eight equivalent Al(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), one Co(2), two equivalent Al(1), and two equivalent Al(3) atoms. In the second Co site, Co(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one Al(1), and two equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one Sm(1), four equivalent Sm(2), one Co(1), four equivalent Co(2), and two equivalent Al(3) atoms to form distorted AlSm5Al2Co5 cuboctahedra that share corners with two equivalent Al(2)Sm8Co4 cuboctahedra, faces with two equivalent Al(1)Sm5Al2Co5 cuboctahedra, and faces with two equivalent Al(2)Sm8Co4 cuboctahedra. In the second Al site, Al(2) is bonded to four equivalent Sm(1), four equivalent Sm(2), and four equivalent Co(1) atoms to form distorted AlSm8Co4 cuboctahedra that share corners with four equivalent Al(1)Sm5Al2Co5 cuboctahedra, faces with two equivalent Al(2)Sm8Co4 cuboctahedra, and faces with four equivalent Al(1)Sm5Al2Co5 cuboctahedra. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Sm(1), two equivalent Sm(3), four equivalent Sm(2), two equivalent Co(2), and one Al(1) atom.
Sm7Co6Al7 crystallizes in the tetragonal P4/mbm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 11-coordinate geometry to two equivalent Co(1), four equivalent Co(2), one Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. Both Sm(1)-Co(1) bond lengths are 2.89 Å. All Sm(1)-Co(2) bond lengths are 3.00 Å. The Sm(1)-Al(1) bond length is 2.97 Å. Both Sm(1)-Al(2) bond lengths are 3.27 Å. Both Sm(1)-Al(3) bond lengths are 3.16 Å. In the second Sm site, Sm(2) is bonded in a 11-coordinate geometry to two equivalent Co(1), two equivalent Co(2), one Al(2), two equivalent Al(1), and four equivalent Al(3) atoms. Both Sm(2)-Co(1) bond lengths are 3.08 Å. There is one shorter (2.59 Å) and one longer (2.95 Å) Sm(2)-Co(2) bond length. The Sm(2)-Al(2) bond length is 3.31 Å. Both Sm(2)-Al(1) bond lengths are 3.09 Å. There are two shorter (3.28 Å) and two longer (3.31 Å) Sm(2)-Al(3) bond lengths. In the third Sm site, Sm(3) is bonded in a distorted body-centered cubic geometry to eight equivalent Al(3) atoms. All Sm(3)-Al(3) bond lengths are 3.10 Å. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 9-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), one Co(2), two equivalent Al(1), and two equivalent Al(3) atoms. The Co(2)-Co(2) bond length is 2.39 Å. Both Co(2)-Al(1) bond lengths are 2.66 Å. Both Co(2)-Al(3) bond lengths are 2.47 Å. In the second Co site, Co(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one Al(1), and two equivalent Al(2) atoms. The Co(1)-Al(1) bond length is 2.72 Å. Both Co(1)-Al(2) bond lengths are 2.50 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one Sm(1), four equivalent Sm(2), one Co(1), four equivalent Co(2), and two equivalent Al(3) atoms to form distorted AlSm5Al2Co5 cuboctahedra that share corners with two equivalent Al(2)Sm8Co4 cuboctahedra, faces with two equivalent Al(1)Sm5Al2Co5 cuboctahedra, and faces with two equivalent Al(2)Sm8Co4 cuboctahedra. Both Al(1)-Al(3) bond lengths are 2.76 Å. In the second Al site, Al(2) is bonded to four equivalent Sm(1), four equivalent Sm(2), and four equivalent Co(1) atoms to form distorted AlSm8Co4 cuboctahedra that share corners with four equivalent Al(1)Sm5Al2Co5 cuboctahedra, faces with two equivalent Al(2)Sm8Co4 cuboctahedra, and faces with four equivalent Al(1)Sm5Al2Co5 cuboctahedra. In the third Al site, Al(3) is bonded in a 10-coordinate geometry to one Sm(1), two equivalent Sm(3), four equivalent Sm(2), two equivalent Co(2), and one Al(1) atom.