YbSm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Yb(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form YbSm12 cuboctahedra that share corners with four equivalent Yb(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, edges with eight equivalent Yb(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Yb4Sm8 cuboctahedra, faces with four equivalent Yb(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)Yb4Sm8 cuboctahedra, and faces with eight equivalent Sm(1)Yb4Sm8 cuboctahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Yb(1), four equivalent Sm(1), and four equivalent Sm(2) atoms to form SmYb4Sm8 cuboctahedra that share corners with twelve equivalent Sm(1)Yb4Sm8 cuboctahedra, edges with eight equivalent Yb(1)Sm12 cuboctahedra, edges with eight equivalent Sm(1)Yb4Sm8 cuboctahedra, edges with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, faces with four equivalent Yb(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Yb4Sm8 cuboctahedra, and faces with ten equivalent Sm(1)Yb4Sm8 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Yb(1) and eight equivalent Sm(1) atoms to form SmYb4Sm8 cuboctahedra that share corners with four equivalent Sm(2)Yb4Sm8 cuboctahedra, corners with eight equivalent Yb(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, edges with sixteen equivalent Sm(1)Yb4Sm8 cuboctahedra, faces with four equivalent Sm(2)Yb4Sm8 cuboctahedra, faces with six equivalent Yb(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Yb4Sm8 cuboctahedra.
YbSm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Yb(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form YbSm12 cuboctahedra that share corners with four equivalent Yb(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, edges with eight equivalent Yb(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Yb4Sm8 cuboctahedra, faces with four equivalent Yb(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)Yb4Sm8 cuboctahedra, and faces with eight equivalent Sm(1)Yb4Sm8 cuboctahedra. All Yb(1)-Sm(2) bond lengths are 3.65 Å. All Yb(1)-Sm(1) bond lengths are 3.66 Å. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Yb(1), four equivalent Sm(1), and four equivalent Sm(2) atoms to form SmYb4Sm8 cuboctahedra that share corners with twelve equivalent Sm(1)Yb4Sm8 cuboctahedra, edges with eight equivalent Yb(1)Sm12 cuboctahedra, edges with eight equivalent Sm(1)Yb4Sm8 cuboctahedra, edges with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, faces with four equivalent Yb(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Yb4Sm8 cuboctahedra, and faces with ten equivalent Sm(1)Yb4Sm8 cuboctahedra. All Sm(1)-Sm(1) bond lengths are 3.65 Å. All Sm(1)-Sm(2) bond lengths are 3.66 Å. In the second Sm site, Sm(2) is bonded to four equivalent Yb(1) and eight equivalent Sm(1) atoms to form SmYb4Sm8 cuboctahedra that share corners with four equivalent Sm(2)Yb4Sm8 cuboctahedra, corners with eight equivalent Yb(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)Yb4Sm8 cuboctahedra, edges with sixteen equivalent Sm(1)Yb4Sm8 cuboctahedra, faces with four equivalent Sm(2)Yb4Sm8 cuboctahedra, faces with six equivalent Yb(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Yb4Sm8 cuboctahedra.