ScFe4Al8 crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded in a 20-coordinate geometry to eight equivalent Fe(1), four equivalent Al(1), and eight equivalent Al(2) atoms. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Sc(1), two equivalent Fe(1), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Sc(1), four equivalent Fe(1), one Al(1), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Sc(1), four equivalent Fe(1), two equivalent Al(2), and four equivalent Al(1) atoms.
ScFe4Al8 crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded in a 20-coordinate geometry to eight equivalent Fe(1), four equivalent Al(1), and eight equivalent Al(2) atoms. All Sc(1)-Fe(1) bond lengths are 3.29 Å. All Sc(1)-Al(1) bond lengths are 2.91 Å. All Sc(1)-Al(2) bond lengths are 3.11 Å. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Sc(1), two equivalent Fe(1), four equivalent Al(1), and four equivalent Al(2) atoms. Both Fe(1)-Fe(1) bond lengths are 2.48 Å. All Fe(1)-Al(1) bond lengths are 2.60 Å. All Fe(1)-Al(2) bond lengths are 2.50 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Sc(1), four equivalent Fe(1), one Al(1), and four equivalent Al(2) atoms. The Al(1)-Al(1) bond length is 2.80 Å. There are two shorter (2.69 Å) and two longer (2.80 Å) Al(1)-Al(2) bond lengths. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent Sc(1), four equivalent Fe(1), two equivalent Al(2), and four equivalent Al(1) atoms. Both Al(2)-Al(2) bond lengths are 2.66 Å.