Al8Mn5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mn(2), three equivalent Mn(3), three equivalent Mn(4), and three equivalent Al(3) atoms to form distorted MnMn9Al3 cuboctahedra that share faces with two equivalent Al(1)Mn3Al9 cuboctahedra. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(4), two equivalent Mn(2), two equivalent Mn(3), one Al(1), one Al(4), two equivalent Al(2), and two equivalent Al(5) atoms. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(4), one Al(2), one Al(3), one Al(4), and four equivalent Al(5) atoms. In the fourth Mn site, Mn(4) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), one Al(2), one Al(4), two equivalent Al(3), and four equivalent Al(5) atoms. There are five inequivalent Al sites. In the first Al site, Al(3) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(3), two equivalent Mn(4), one Al(1), one Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. In the second Al site, Al(4) is bonded in a 11-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), one Al(1), two equivalent Al(3), two equivalent Al(5), and three equivalent Al(2) atoms. In the third Al site, Al(5) is bonded in a 12-coordinate geometry to one Mn(2), two equivalent Mn(3), two equivalent Mn(4), one Al(3), one Al(4), two equivalent Al(2), and three equivalent Al(5) atoms. In the fourth Al site, Al(1) is bonded to three equivalent Mn(2), three equivalent Al(2), three equivalent Al(3), and three equivalent Al(4) atoms to form distorted AlMn3Al9 cuboctahedra that share faces with two equivalent Mn(1)Mn9Al3 cuboctahedra. In the fifth Al site, Al(2) is bonded in a 13-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(2), one Al(1), one Al(3), three equivalent Al(4), and four equivalent Al(5) atoms.
Al8Mn5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent Mn(2), three equivalent Mn(3), three equivalent Mn(4), and three equivalent Al(3) atoms to form distorted MnMn9Al3 cuboctahedra that share faces with two equivalent Al(1)Mn3Al9 cuboctahedra. All Mn(1)-Mn(2) bond lengths are 2.29 Å. All Mn(1)-Mn(3) bond lengths are 2.51 Å. All Mn(1)-Mn(4) bond lengths are 2.64 Å. All Mn(1)-Al(3) bond lengths are 2.55 Å. In the second Mn site, Mn(2) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(4), two equivalent Mn(2), two equivalent Mn(3), one Al(1), one Al(4), two equivalent Al(2), and two equivalent Al(5) atoms. The Mn(2)-Mn(4) bond length is 2.66 Å. Both Mn(2)-Mn(2) bond lengths are 2.67 Å. Both Mn(2)-Mn(3) bond lengths are 2.54 Å. The Mn(2)-Al(1) bond length is 2.41 Å. The Mn(2)-Al(4) bond length is 2.61 Å. Both Mn(2)-Al(2) bond lengths are 2.62 Å. Both Mn(2)-Al(5) bond lengths are 2.55 Å. In the third Mn site, Mn(3) is bonded in a 12-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Mn(4), one Al(2), one Al(3), one Al(4), and four equivalent Al(5) atoms. Both Mn(3)-Mn(4) bond lengths are 2.76 Å. The Mn(3)-Al(2) bond length is 2.62 Å. The Mn(3)-Al(3) bond length is 2.53 Å. The Mn(3)-Al(4) bond length is 2.49 Å. There are two shorter (2.54 Å) and two longer (2.61 Å) Mn(3)-Al(5) bond lengths. In the fourth Mn site, Mn(4) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), one Al(2), one Al(4), two equivalent Al(3), and four equivalent Al(5) atoms. The Mn(4)-Al(2) bond length is 2.54 Å. The Mn(4)-Al(4) bond length is 2.82 Å. Both Mn(4)-Al(3) bond lengths are 2.52 Å. There are two shorter (2.63 Å) and two longer (2.65 Å) Mn(4)-Al(5) bond lengths. There are five inequivalent Al sites. In the first Al site, Al(3) is bonded in a 12-coordinate geometry to one Mn(1), one Mn(3), two equivalent Mn(4), one Al(1), one Al(2), two equivalent Al(3), two equivalent Al(4), and two equivalent Al(5) atoms. The Al(3)-Al(1) bond length is 2.68 Å. The Al(3)-Al(2) bond length is 2.88 Å. Both Al(3)-Al(3) bond lengths are 2.77 Å. Both Al(3)-Al(4) bond lengths are 2.77 Å. Both Al(3)-Al(5) bond lengths are 2.64 Å. In the second Al site, Al(4) is bonded in a 11-coordinate geometry to one Mn(2), one Mn(3), one Mn(4), one Al(1), two equivalent Al(3), two equivalent Al(5), and three equivalent Al(2) atoms. The Al(4)-Al(1) bond length is 2.64 Å. Both Al(4)-Al(5) bond lengths are 2.89 Å. There is one shorter (2.56 Å) and two longer (2.81 Å) Al(4)-Al(2) bond lengths. In the third Al site, Al(5) is bonded in a 12-coordinate geometry to one Mn(2), two equivalent Mn(3), two equivalent Mn(4), one Al(3), one Al(4), two equivalent Al(2), and three equivalent Al(5) atoms. There is one shorter (3.01 Å) and one longer (3.02 Å) Al(5)-Al(2) bond length. There are two shorter (2.79 Å) and one longer (2.93 Å) Al(5)-Al(5) bond length. In the fourth Al site, Al(1) is bonded to three equivalent Mn(2), three equivalent Al(2), three equivalent Al(3), and three equivalent Al(4) atoms to form distorted AlMn3Al9 cuboctahedra that share faces with two equivalent Mn(1)Mn9Al3 cuboctahedra. All Al(1)-Al(2) bond lengths are 2.66 Å. In the fifth Al site, Al(2) is bonded in a 13-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(2), one Al(1), one Al(3), three equivalent Al(4), and four equivalent Al(5) atoms.