La3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent La(1), four equivalent La(2), and four equivalent Sc(1) atoms to form LaLa8Sc4 cuboctahedra that share corners with twelve equivalent La(1)La8Sc4 cuboctahedra, edges with eight equivalent La(1)La8Sc4 cuboctahedra, edges with eight equivalent La(2)La8Sc4 cuboctahedra, edges with eight equivalent Sc(1)La12 cuboctahedra, faces with four equivalent La(2)La8Sc4 cuboctahedra, faces with four equivalent Sc(1)La12 cuboctahedra, and faces with ten equivalent La(1)La8Sc4 cuboctahedra. In the second La site, La(2) is bonded to eight equivalent La(1) and four equivalent Sc(1) atoms to form LaLa8Sc4 cuboctahedra that share corners with four equivalent La(2)La8Sc4 cuboctahedra, corners with eight equivalent Sc(1)La12 cuboctahedra, edges with eight equivalent La(2)La8Sc4 cuboctahedra, edges with sixteen equivalent La(1)La8Sc4 cuboctahedra, faces with four equivalent La(2)La8Sc4 cuboctahedra, faces with six equivalent Sc(1)La12 cuboctahedra, and faces with eight equivalent La(1)La8Sc4 cuboctahedra. Sc(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form ScLa12 cuboctahedra that share corners with four equivalent Sc(1)La12 cuboctahedra, corners with eight equivalent La(2)La8Sc4 cuboctahedra, edges with eight equivalent Sc(1)La12 cuboctahedra, edges with sixteen equivalent La(1)La8Sc4 cuboctahedra, faces with four equivalent Sc(1)La12 cuboctahedra, faces with six equivalent La(2)La8Sc4 cuboctahedra, and faces with eight equivalent La(1)La8Sc4 cuboctahedra.
La3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to four equivalent La(1), four equivalent La(2), and four equivalent Sc(1) atoms to form LaLa8Sc4 cuboctahedra that share corners with twelve equivalent La(1)La8Sc4 cuboctahedra, edges with eight equivalent La(1)La8Sc4 cuboctahedra, edges with eight equivalent La(2)La8Sc4 cuboctahedra, edges with eight equivalent Sc(1)La12 cuboctahedra, faces with four equivalent La(2)La8Sc4 cuboctahedra, faces with four equivalent Sc(1)La12 cuboctahedra, and faces with ten equivalent La(1)La8Sc4 cuboctahedra. All La(1)-La(1) bond lengths are 3.59 Å. All La(1)-La(2) bond lengths are 3.64 Å. All La(1)-Sc(1) bond lengths are 3.64 Å. In the second La site, La(2) is bonded to eight equivalent La(1) and four equivalent Sc(1) atoms to form LaLa8Sc4 cuboctahedra that share corners with four equivalent La(2)La8Sc4 cuboctahedra, corners with eight equivalent Sc(1)La12 cuboctahedra, edges with eight equivalent La(2)La8Sc4 cuboctahedra, edges with sixteen equivalent La(1)La8Sc4 cuboctahedra, faces with four equivalent La(2)La8Sc4 cuboctahedra, faces with six equivalent Sc(1)La12 cuboctahedra, and faces with eight equivalent La(1)La8Sc4 cuboctahedra. All La(2)-Sc(1) bond lengths are 3.59 Å. Sc(1) is bonded to four equivalent La(2) and eight equivalent La(1) atoms to form ScLa12 cuboctahedra that share corners with four equivalent Sc(1)La12 cuboctahedra, corners with eight equivalent La(2)La8Sc4 cuboctahedra, edges with eight equivalent Sc(1)La12 cuboctahedra, edges with sixteen equivalent La(1)La8Sc4 cuboctahedra, faces with four equivalent Sc(1)La12 cuboctahedra, faces with six equivalent La(2)La8Sc4 cuboctahedra, and faces with eight equivalent La(1)La8Sc4 cuboctahedra.