Pm3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Pm(1), four equivalent Pm(2), and four equivalent Sc(1) atoms to form PmPm8Sc4 cuboctahedra that share corners with twelve equivalent Pm(1)Pm8Sc4 cuboctahedra, edges with eight equivalent Pm(1)Pm8Sc4 cuboctahedra, edges with eight equivalent Pm(2)Pm8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Pm12 cuboctahedra, faces with four equivalent Pm(2)Pm8Sc4 cuboctahedra, faces with four equivalent Sc(1)Pm12 cuboctahedra, and faces with ten equivalent Pm(1)Pm8Sc4 cuboctahedra. In the second Pm site, Pm(2) is bonded to eight equivalent Pm(1) and four equivalent Sc(1) atoms to form PmPm8Sc4 cuboctahedra that share corners with four equivalent Pm(2)Pm8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Pm12 cuboctahedra, edges with eight equivalent Pm(2)Pm8Sc4 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Sc4 cuboctahedra, faces with four equivalent Pm(2)Pm8Sc4 cuboctahedra, faces with six equivalent Sc(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Sc4 cuboctahedra. Sc(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form ScPm12 cuboctahedra that share corners with four equivalent Sc(1)Pm12 cuboctahedra, corners with eight equivalent Pm(2)Pm8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Sc4 cuboctahedra, faces with four equivalent Sc(1)Pm12 cuboctahedra, faces with six equivalent Pm(2)Pm8Sc4 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Sc4 cuboctahedra.
Pm3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Pm sites. In the first Pm site, Pm(1) is bonded to four equivalent Pm(1), four equivalent Pm(2), and four equivalent Sc(1) atoms to form PmPm8Sc4 cuboctahedra that share corners with twelve equivalent Pm(1)Pm8Sc4 cuboctahedra, edges with eight equivalent Pm(1)Pm8Sc4 cuboctahedra, edges with eight equivalent Pm(2)Pm8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Pm12 cuboctahedra, faces with four equivalent Pm(2)Pm8Sc4 cuboctahedra, faces with four equivalent Sc(1)Pm12 cuboctahedra, and faces with ten equivalent Pm(1)Pm8Sc4 cuboctahedra. All Pm(1)-Pm(1) bond lengths are 3.59 Å. All Pm(1)-Pm(2) bond lengths are 3.54 Å. All Pm(1)-Sc(1) bond lengths are 3.54 Å. In the second Pm site, Pm(2) is bonded to eight equivalent Pm(1) and four equivalent Sc(1) atoms to form PmPm8Sc4 cuboctahedra that share corners with four equivalent Pm(2)Pm8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Pm12 cuboctahedra, edges with eight equivalent Pm(2)Pm8Sc4 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Sc4 cuboctahedra, faces with four equivalent Pm(2)Pm8Sc4 cuboctahedra, faces with six equivalent Sc(1)Pm12 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Sc4 cuboctahedra. All Pm(2)-Sc(1) bond lengths are 3.59 Å. Sc(1) is bonded to four equivalent Pm(2) and eight equivalent Pm(1) atoms to form ScPm12 cuboctahedra that share corners with four equivalent Sc(1)Pm12 cuboctahedra, corners with eight equivalent Pm(2)Pm8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Pm12 cuboctahedra, edges with sixteen equivalent Pm(1)Pm8Sc4 cuboctahedra, faces with four equivalent Sc(1)Pm12 cuboctahedra, faces with six equivalent Pm(2)Pm8Sc4 cuboctahedra, and faces with eight equivalent Pm(1)Pm8Sc4 cuboctahedra.