CaSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to twelve Sm(1,1) atoms to form CaSm12 cuboctahedra that share corners with six equivalent Ca(1)Sm12 cuboctahedra; corners with twelve Sm(1,1)Ca4Sm8 cuboctahedra; edges with eighteen Sm(1,1)Ca4Sm8 cuboctahedra; faces with eight equivalent Ca(1)Sm12 cuboctahedra; and faces with twelve Sm(1,1)Ca4Sm8 cuboctahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Ca(1) and eight Sm(1,1) atoms to form SmCa4Sm8 cuboctahedra that share corners with four equivalent Ca(1)Sm12 cuboctahedra; corners with fourteen Sm(1,1)Ca4Sm8 cuboctahedra; edges with six equivalent Ca(1)Sm12 cuboctahedra; edges with twelve Sm(1,1)Ca4Sm8 cuboctahedra; faces with four equivalent Ca(1)Sm12 cuboctahedra; and faces with sixteen Sm(1,1)Ca4Sm8 cuboctahedra. In the second Sm site, Sm(1) is bonded to four equivalent Ca(1) and eight equivalent Sm(1) atoms to form SmCa4Sm8 cuboctahedra that share corners with four equivalent Ca(1)Sm12 cuboctahedra; corners with fourteen Sm(1,1)Ca4Sm8 cuboctahedra; edges with six equivalent Ca(1)Sm12 cuboctahedra; edges with twelve equivalent Sm(1)Ca4Sm8 cuboctahedra; faces with four equivalent Ca(1)Sm12 cuboctahedra; and faces with sixteen Sm(1,1)Ca4Sm8 cuboctahedra.
CaSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to twelve Sm(1,1) atoms to form CaSm12 cuboctahedra that share corners with six equivalent Ca(1)Sm12 cuboctahedra; corners with twelve Sm(1,1)Ca4Sm8 cuboctahedra; edges with eighteen Sm(1,1)Ca4Sm8 cuboctahedra; faces with eight equivalent Ca(1)Sm12 cuboctahedra; and faces with twelve Sm(1,1)Ca4Sm8 cuboctahedra. There are six shorter (3.68 Å) and six longer (3.71 Å) Ca(1)-Sm(1,1) bond lengths. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Ca(1) and eight Sm(1,1) atoms to form SmCa4Sm8 cuboctahedra that share corners with four equivalent Ca(1)Sm12 cuboctahedra; corners with fourteen Sm(1,1)Ca4Sm8 cuboctahedra; edges with six equivalent Ca(1)Sm12 cuboctahedra; edges with twelve Sm(1,1)Ca4Sm8 cuboctahedra; faces with four equivalent Ca(1)Sm12 cuboctahedra; and faces with sixteen Sm(1,1)Ca4Sm8 cuboctahedra. There are a spread of Sm(1)-Sm(1,1) bond distances ranging from 3.64-3.75 Å. In the second Sm site, Sm(1) is bonded to four equivalent Ca(1) and eight equivalent Sm(1) atoms to form SmCa4Sm8 cuboctahedra that share corners with four equivalent Ca(1)Sm12 cuboctahedra; corners with fourteen Sm(1,1)Ca4Sm8 cuboctahedra; edges with six equivalent Ca(1)Sm12 cuboctahedra; edges with twelve equivalent Sm(1)Ca4Sm8 cuboctahedra; faces with four equivalent Ca(1)Sm12 cuboctahedra; and faces with sixteen Sm(1,1)Ca4Sm8 cuboctahedra.