Mg5Sc is Magnesium-derived structured and crystallizes in the hexagonal P-62m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2), six equivalent Mg(1), and two equivalent Sc(1) atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with four equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Sc2 cuboctahedra; and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1); and three equivalent Sc(1) atoms to form MgMg9Sc3 cuboctahedra that share corners with nine equivalent Mg(2)Mg9Sc3 cuboctahedra; corners with nine equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(2)Mg9Sc3 cuboctahedra; edges with twelve Mg(1,1)Mg10Sc2 cuboctahedra; faces with three equivalent Sc(1)Mg12 cuboctahedra; faces with five equivalent Mg(2)Mg9Sc3 cuboctahedra; and faces with twelve Mg(1,1)Mg10Sc2 cuboctahedra. In the third Mg site, Mg(1) is bonded to four equivalent Mg(2); six Mg(1,1); and two equivalent Sc(1) atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen Mg(1,1)Mg10Sc2 cuboctahedra; edges with four equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Sc2 cuboctahedra; and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. Sc(1) is bonded to six Mg(1,1) and six equivalent Mg(2) atoms to form ScMg12 cuboctahedra that share corners with eighteen equivalent Mg(2)Mg9Sc3 cuboctahedra; edges with six equivalent Sc(1)Mg12 cuboctahedra; edges with twelve Mg(1,1)Mg10Sc2 cuboctahedra; faces with two equivalent Sc(1)Mg12 cuboctahedra; faces with six equivalent Mg(2)Mg9Sc3 cuboctahedra; and faces with twelve Mg(1,1)Mg10Sc2 cuboctahedra.
Mg5Sc is Magnesium-derived structured and crystallizes in the hexagonal P-62m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(2), six equivalent Mg(1), and two equivalent Sc(1) atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with four equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Sc2 cuboctahedra; and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. All Mg(1)-Mg(2) bond lengths are 3.14 Å. There are four shorter (3.17 Å) and two longer (3.31 Å) Mg(1)-Mg(1) bond lengths. Both Mg(1)-Sc(1) bond lengths are 3.19 Å. In the second Mg site, Mg(2) is bonded to three equivalent Mg(2); six Mg(1,1); and three equivalent Sc(1) atoms to form MgMg9Sc3 cuboctahedra that share corners with nine equivalent Mg(2)Mg9Sc3 cuboctahedra; corners with nine equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(2)Mg9Sc3 cuboctahedra; edges with twelve Mg(1,1)Mg10Sc2 cuboctahedra; faces with three equivalent Sc(1)Mg12 cuboctahedra; faces with five equivalent Mg(2)Mg9Sc3 cuboctahedra; and faces with twelve Mg(1,1)Mg10Sc2 cuboctahedra. All Mg(2)-Mg(2) bond lengths are 3.22 Å. All Mg(2)-Mg(1) bond lengths are 3.14 Å. All Mg(2)-Sc(1) bond lengths are 3.22 Å. In the third Mg site, Mg(1) is bonded to four equivalent Mg(2); six Mg(1,1); and two equivalent Sc(1) atoms to form MgMg10Sc2 cuboctahedra that share corners with eighteen Mg(1,1)Mg10Sc2 cuboctahedra; edges with four equivalent Sc(1)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Sc2 cuboctahedra; edges with eight equivalent Mg(2)Mg9Sc3 cuboctahedra; faces with four equivalent Sc(1)Mg12 cuboctahedra; faces with eight Mg(1,1)Mg10Sc2 cuboctahedra; and faces with eight equivalent Mg(2)Mg9Sc3 cuboctahedra. There are two shorter (3.17 Å) and one longer (3.31 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Sc(1) bond lengths are 3.19 Å. Sc(1) is bonded to six Mg(1,1) and six equivalent Mg(2) atoms to form ScMg12 cuboctahedra that share corners with eighteen equivalent Mg(2)Mg9Sc3 cuboctahedra; edges with six equivalent Sc(1)Mg12 cuboctahedra; edges with twelve Mg(1,1)Mg10Sc2 cuboctahedra; faces with two equivalent Sc(1)Mg12 cuboctahedra; faces with six equivalent Mg(2)Mg9Sc3 cuboctahedra; and faces with twelve Mg(1,1)Mg10Sc2 cuboctahedra.