MgSc5Al4 crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Sc(1) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Al(1) atoms. In the second Sc site, Sc(2) is bonded in a body-centered cubic geometry to four equivalent Al(1) and four equivalent Al(2) atoms. In the third Sc site, Sc(3) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to four equivalent Sc(1) and four equivalent Sc(2) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to four equivalent Sc(2) and four equivalent Sc(3) atoms.
MgSc5Al4 crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Sc(1) atoms. All Mg(1)-Sc(1) bond lengths are 3.05 Å. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Al(1) atoms. All Sc(1)-Al(1) bond lengths are 2.91 Å. In the second Sc site, Sc(2) is bonded in a body-centered cubic geometry to four equivalent Al(1) and four equivalent Al(2) atoms. All Sc(2)-Al(1) bond lengths are 2.96 Å. All Sc(2)-Al(2) bond lengths are 2.93 Å. In the third Sc site, Sc(3) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. All Sc(3)-Al(2) bond lengths are 2.94 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to four equivalent Sc(1) and four equivalent Sc(2) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to four equivalent Sc(2) and four equivalent Sc(3) atoms.