Na(Mg4Al3)4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the trigonal R3m space group. Na(1) is bonded in a 16-coordinate geometry to one Mg(2), three equivalent Mg(3), three equivalent Mg(4), three equivalent Al(1), and six equivalent Al(3) atoms. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(2), one Mg(3), two equivalent Mg(5), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. In the second Mg site, Mg(2) is bonded in a 16-coordinate geometry to one Na(1), three equivalent Mg(1), three equivalent Al(1), three equivalent Al(2), and six equivalent Al(3) atoms. In the third Mg site, Mg(3) is bonded in a 13-coordinate geometry to one Na(1), one Mg(1), two equivalent Mg(4), four equivalent Mg(5), one Al(1), and four equivalent Al(3) atoms. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mg(3), four equivalent Mg(5), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms. In the fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), one Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one Na(1), one Mg(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(4), two equivalent Mg(5), one Al(2), and two equivalent Al(1) atoms to form distorted face-sharing AlNaMg8Al3 cuboctahedra. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to one Mg(2), one Mg(4), two equivalent Mg(1), four equivalent Mg(5), one Al(1), and two equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 11-coordinate geometry to one Na(1), one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(3), two equivalent Mg(5), one Al(2), and two equivalent Al(3) atoms.
Na(Mg4Al3)4 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the trigonal R3m space group. Na(1) is bonded in a 16-coordinate geometry to one Mg(2), three equivalent Mg(3), three equivalent Mg(4), three equivalent Al(1), and six equivalent Al(3) atoms. The Na(1)-Mg(2) bond length is 3.27 Å. All Na(1)-Mg(3) bond lengths are 3.55 Å. All Na(1)-Mg(4) bond lengths are 3.06 Å. All Na(1)-Al(1) bond lengths are 3.44 Å. All Na(1)-Al(3) bond lengths are 3.22 Å. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(2), one Mg(3), two equivalent Mg(5), two equivalent Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. The Mg(1)-Mg(2) bond length is 3.16 Å. The Mg(1)-Mg(3) bond length is 3.07 Å. Both Mg(1)-Mg(5) bond lengths are 3.07 Å. Both Mg(1)-Al(1) bond lengths are 3.09 Å. Both Mg(1)-Al(2) bond lengths are 3.12 Å. Both Mg(1)-Al(3) bond lengths are 3.08 Å. In the second Mg site, Mg(2) is bonded in a 16-coordinate geometry to one Na(1), three equivalent Mg(1), three equivalent Al(1), three equivalent Al(2), and six equivalent Al(3) atoms. All Mg(2)-Al(1) bond lengths are 3.21 Å. All Mg(2)-Al(2) bond lengths are 3.24 Å. All Mg(2)-Al(3) bond lengths are 3.22 Å. In the third Mg site, Mg(3) is bonded in a 13-coordinate geometry to one Na(1), one Mg(1), two equivalent Mg(4), four equivalent Mg(5), one Al(1), and four equivalent Al(3) atoms. Both Mg(3)-Mg(4) bond lengths are 3.22 Å. There are two shorter (3.16 Å) and two longer (3.18 Å) Mg(3)-Mg(5) bond lengths. The Mg(3)-Al(1) bond length is 2.93 Å. There are two shorter (3.00 Å) and two longer (3.19 Å) Mg(3)-Al(3) bond lengths. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mg(3), four equivalent Mg(5), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms. All Mg(4)-Mg(5) bond lengths are 3.15 Å. The Mg(4)-Al(2) bond length is 2.88 Å. Both Mg(4)-Al(1) bond lengths are 3.01 Å. Both Mg(4)-Al(3) bond lengths are 3.22 Å. In the fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), one Al(1), two equivalent Al(2), and two equivalent Al(3) atoms. Both Mg(5)-Mg(5) bond lengths are 3.15 Å. The Mg(5)-Al(1) bond length is 3.22 Å. There is one shorter (3.00 Å) and one longer (3.19 Å) Mg(5)-Al(2) bond length. There is one shorter (2.92 Å) and one longer (2.97 Å) Mg(5)-Al(3) bond length. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one Na(1), one Mg(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(4), two equivalent Mg(5), one Al(2), and two equivalent Al(1) atoms to form distorted face-sharing AlNaMg8Al3 cuboctahedra. The Al(1)-Al(2) bond length is 2.69 Å. Both Al(1)-Al(1) bond lengths are 2.78 Å. In the second Al site, Al(2) is bonded in a 11-coordinate geometry to one Mg(2), one Mg(4), two equivalent Mg(1), four equivalent Mg(5), one Al(1), and two equivalent Al(3) atoms. Both Al(2)-Al(3) bond lengths are 2.76 Å. In the third Al site, Al(3) is bonded in a 11-coordinate geometry to one Na(1), one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(3), two equivalent Mg(5), one Al(2), and two equivalent Al(3) atoms. There is one shorter (2.73 Å) and one longer (2.81 Å) Al(3)-Al(3) bond length.