MgSc3 is Magnesium-derived structured and crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent Mg(1), four equivalent Sc(2), and six equivalent Sc(1) atoms to form MgMg2Sc10 cuboctahedra that share corners with four equivalent Sc(2)Mg4Sc8 cuboctahedra, corners with fourteen equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with two equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with four equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra, faces with two equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with six equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to three equivalent Mg(1), three equivalent Sc(2), and six equivalent Sc(1) atoms to form ScMg3Sc9 cuboctahedra that share corners with eighteen equivalent Sc(1)Mg3Sc9 cuboctahedra, edges with six equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with six equivalent Sc(1)Mg3Sc9 cuboctahedra, edges with six equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with six equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with six equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with eight equivalent Sc(1)Mg3Sc9 cuboctahedra. In the second Sc site, Sc(2) is bonded to four equivalent Mg(1), two equivalent Sc(2), and six equivalent Sc(1) atoms to form ScMg4Sc8 cuboctahedra that share corners with four equivalent Mg(1)Mg2Sc10 cuboctahedra, corners with fourteen equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with two equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with four equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra, faces with two equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with six equivalent Mg(1)Mg2Sc10 cuboctahedra, and faces with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra.
MgSc3 is Magnesium-derived structured and crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent Mg(1), four equivalent Sc(2), and six equivalent Sc(1) atoms to form MgMg2Sc10 cuboctahedra that share corners with four equivalent Sc(2)Mg4Sc8 cuboctahedra, corners with fourteen equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with two equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with four equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra, faces with two equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with six equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra. Both Mg(1)-Mg(1) bond lengths are 3.26 Å. There are two shorter (3.19 Å) and two longer (3.32 Å) Mg(1)-Sc(2) bond lengths. There are four shorter (3.19 Å) and two longer (3.31 Å) Mg(1)-Sc(1) bond lengths. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to three equivalent Mg(1), three equivalent Sc(2), and six equivalent Sc(1) atoms to form ScMg3Sc9 cuboctahedra that share corners with eighteen equivalent Sc(1)Mg3Sc9 cuboctahedra, edges with six equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with six equivalent Sc(1)Mg3Sc9 cuboctahedra, edges with six equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with six equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with six equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with eight equivalent Sc(1)Mg3Sc9 cuboctahedra. There is one shorter (3.25 Å) and two longer (3.28 Å) Sc(1)-Sc(2) bond lengths. There are four shorter (3.25 Å) and two longer (3.26 Å) Sc(1)-Sc(1) bond lengths. In the second Sc site, Sc(2) is bonded to four equivalent Mg(1), two equivalent Sc(2), and six equivalent Sc(1) atoms to form ScMg4Sc8 cuboctahedra that share corners with four equivalent Mg(1)Mg2Sc10 cuboctahedra, corners with fourteen equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with two equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with four equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra, faces with two equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with six equivalent Mg(1)Mg2Sc10 cuboctahedra, and faces with twelve equivalent Sc(1)Mg3Sc9 cuboctahedra. Both Sc(2)-Sc(2) bond lengths are 3.26 Å.