MgSc5 is Magnesium-derived structured and crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Sc(3), two equivalent Sc(4), two equivalent Sc(5), and four equivalent Sc(2) atoms to form MgMg2Sc10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(4)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(4)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with four equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with eight equivalent Sc(1)Sc12 cuboctahedra, faces with two equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(5)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(1)Sc12 cuboctahedra, faces with four equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with six equivalent Sc(3)Mg2Sc10 cuboctahedra. There are five inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Sc(5), and four equivalent Sc(4) atoms to form ScSc12 cuboctahedra that share corners with six equivalent Sc(3)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(2)Mg4Sc8 cuboctahedra, corners with six equivalent Sc(1)Sc12 cuboctahedra, edges with three equivalent Sc(3)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with four equivalent Sc(4)Mg2Sc10 cuboctahedra, edges with eight equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with two equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with four equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(1)Sc12 cuboctahedra, and faces with six equivalent Sc(5)Mg2Sc10 cuboctahedra. In the second Sc site, Sc(2) is bonded to four equivalent Mg(1), two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), and two equivalent Sc(4) atoms to form ScMg4Sc8 cuboctahedra that share corners with six equivalent Sc(3)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(2)Mg4Sc8 cuboctahedra, corners with six equivalent Sc(1)Sc12 cuboctahedra, edges with three equivalent Sc(3)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(1)Sc12 cuboctahedra, edges with four equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with eight equivalent Sc(5)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(5)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(1)Sc12 cuboctahedra, faces with four equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with six equivalent Sc(4)Mg2Sc10 cuboctahedra. In the third Sc site, Sc(3) is bonded to two equivalent Mg(1), two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), and four equivalent Sc(5) atoms to form ScMg2Sc10 cuboctahedra that share corners with six equivalent Sc(3)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(2)Mg4Sc8 cuboctahedra, corners with six equivalent Sc(1)Sc12 cuboctahedra, edges with three equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with three equivalent Sc(1)Sc12 cuboctahedra, edges with four equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with eight equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with two equivalent Sc(1)Sc12 cuboctahedra, faces with four equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(5)Mg2Sc10 cuboctahedra, and faces with six equivalent Mg(1)Mg2Sc10 cuboctahedra. In the fourth Sc site, Sc(4) is bonded to two equivalent Mg(1), two equivalent Sc(2), two equivalent Sc(4), two equivalent Sc(5), and four equivalent Sc(1) atoms to form ScMg2Sc10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(4)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with three equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with four equivalent Sc(1)Sc12 cuboctahedra, edges with eight equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with two equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(5)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(1)Sc12 cuboctahedra, and faces with six equivalent Sc(2)Mg4Sc8 cuboctahedra. In the fifth Sc site, Sc(5) is bonded to two equivalent Mg(1), two equivalent Sc(1), two equivalent Sc(4), two equivalent Sc(5), and four equivalent Sc(3) atoms to form ScMg2Sc10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(4)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with three equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(4)Mg2Sc10 cuboctahedra, edges with four equivalent Sc(3)Mg2Sc10 cuboctahedra, edges with eight equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with two equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with four equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(5)Mg2Sc10 cuboctahedra, and faces with six equivalent Sc(1)Sc12 cuboctahedra.
MgSc5 is Magnesium-derived structured and crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent Mg(1), two equivalent Sc(3), two equivalent Sc(4), two equivalent Sc(5), and four equivalent Sc(2) atoms to form MgMg2Sc10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(4)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(4)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with four equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with eight equivalent Sc(1)Sc12 cuboctahedra, faces with two equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(5)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(1)Sc12 cuboctahedra, faces with four equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with six equivalent Sc(3)Mg2Sc10 cuboctahedra. Both Mg(1)-Mg(1) bond lengths are 3.28 Å. Both Mg(1)-Sc(3) bond lengths are 3.25 Å. Both Mg(1)-Sc(4) bond lengths are 3.30 Å. Both Mg(1)-Sc(5) bond lengths are 3.24 Å. All Mg(1)-Sc(2) bond lengths are 3.26 Å. There are five inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Sc(5), and four equivalent Sc(4) atoms to form ScSc12 cuboctahedra that share corners with six equivalent Sc(3)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(2)Mg4Sc8 cuboctahedra, corners with six equivalent Sc(1)Sc12 cuboctahedra, edges with three equivalent Sc(3)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with four equivalent Sc(4)Mg2Sc10 cuboctahedra, edges with eight equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with two equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with four equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(1)Sc12 cuboctahedra, and faces with six equivalent Sc(5)Mg2Sc10 cuboctahedra. Both Sc(1)-Sc(1) bond lengths are 3.28 Å. Both Sc(1)-Sc(2) bond lengths are 3.31 Å. Both Sc(1)-Sc(3) bond lengths are 3.24 Å. Both Sc(1)-Sc(5) bond lengths are 3.25 Å. All Sc(1)-Sc(4) bond lengths are 3.26 Å. In the second Sc site, Sc(2) is bonded to four equivalent Mg(1), two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), and two equivalent Sc(4) atoms to form ScMg4Sc8 cuboctahedra that share corners with six equivalent Sc(3)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(2)Mg4Sc8 cuboctahedra, corners with six equivalent Sc(1)Sc12 cuboctahedra, edges with three equivalent Sc(3)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(1)Sc12 cuboctahedra, edges with four equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with eight equivalent Sc(5)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(5)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(1)Sc12 cuboctahedra, faces with four equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(2)Mg4Sc8 cuboctahedra, and faces with six equivalent Sc(4)Mg2Sc10 cuboctahedra. Both Sc(2)-Sc(2) bond lengths are 3.28 Å. Both Sc(2)-Sc(3) bond lengths are 3.25 Å. Both Sc(2)-Sc(4) bond lengths are 3.28 Å. In the third Sc site, Sc(3) is bonded to two equivalent Mg(1), two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), and four equivalent Sc(5) atoms to form ScMg2Sc10 cuboctahedra that share corners with six equivalent Sc(3)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(2)Mg4Sc8 cuboctahedra, corners with six equivalent Sc(1)Sc12 cuboctahedra, edges with three equivalent Sc(2)Mg4Sc8 cuboctahedra, edges with three equivalent Sc(1)Sc12 cuboctahedra, edges with four equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with eight equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with two equivalent Sc(1)Sc12 cuboctahedra, faces with four equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(5)Mg2Sc10 cuboctahedra, and faces with six equivalent Mg(1)Mg2Sc10 cuboctahedra. Both Sc(3)-Sc(3) bond lengths are 3.28 Å. All Sc(3)-Sc(5) bond lengths are 3.26 Å. In the fourth Sc site, Sc(4) is bonded to two equivalent Mg(1), two equivalent Sc(2), two equivalent Sc(4), two equivalent Sc(5), and four equivalent Sc(1) atoms to form ScMg2Sc10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(4)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with three equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with four equivalent Sc(1)Sc12 cuboctahedra, edges with eight equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with two equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(5)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(1)Sc12 cuboctahedra, and faces with six equivalent Sc(2)Mg4Sc8 cuboctahedra. Both Sc(4)-Sc(4) bond lengths are 3.28 Å. Both Sc(4)-Sc(5) bond lengths are 3.25 Å. In the fifth Sc site, Sc(5) is bonded to two equivalent Mg(1), two equivalent Sc(1), two equivalent Sc(4), two equivalent Sc(5), and four equivalent Sc(3) atoms to form ScMg2Sc10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(4)Mg2Sc10 cuboctahedra, corners with six equivalent Sc(5)Mg2Sc10 cuboctahedra, edges with three equivalent Mg(1)Mg2Sc10 cuboctahedra, edges with three equivalent Sc(4)Mg2Sc10 cuboctahedra, edges with four equivalent Sc(3)Mg2Sc10 cuboctahedra, edges with eight equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with two equivalent Mg(1)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(4)Mg2Sc10 cuboctahedra, faces with two equivalent Sc(2)Mg4Sc8 cuboctahedra, faces with four equivalent Sc(3)Mg2Sc10 cuboctahedra, faces with four equivalent Sc(5)Mg2Sc10 cuboctahedra, and faces with six equivalent Sc(1)Sc12 cuboctahedra. Both Sc(5)-Sc(5) bond lengths are 3.28 Å.