CaNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to twelve Nd(1,1) atoms to form CaNd12 cuboctahedra that share corners with six equivalent Ca(1)Nd12 cuboctahedra; corners with twelve Nd(1,1)Ca4Nd8 cuboctahedra; edges with eighteen Nd(1,1)Ca4Nd8 cuboctahedra; faces with eight equivalent Ca(1)Nd12 cuboctahedra; and faces with twelve Nd(1,1)Ca4Nd8 cuboctahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Ca(1) and eight Nd(1,1) atoms to form NdCa4Nd8 cuboctahedra that share corners with four equivalent Ca(1)Nd12 cuboctahedra; corners with fourteen Nd(1,1)Ca4Nd8 cuboctahedra; edges with six equivalent Ca(1)Nd12 cuboctahedra; edges with twelve Nd(1,1)Ca4Nd8 cuboctahedra; faces with four equivalent Ca(1)Nd12 cuboctahedra; and faces with sixteen Nd(1,1)Ca4Nd8 cuboctahedra. In the second Nd site, Nd(1) is bonded to four equivalent Ca(1) and eight Nd(1,1) atoms to form NdCa4Nd8 cuboctahedra that share corners with four equivalent Ca(1)Nd12 cuboctahedra; corners with fourteen Nd(1,1)Ca4Nd8 cuboctahedra; edges with six equivalent Ca(1)Nd12 cuboctahedra; edges with twelve Nd(1,1)Ca4Nd8 cuboctahedra; faces with four equivalent Ca(1)Nd12 cuboctahedra; and faces with sixteen Nd(1,1)Ca4Nd8 cuboctahedra.
CaNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to twelve Nd(1,1) atoms to form CaNd12 cuboctahedra that share corners with six equivalent Ca(1)Nd12 cuboctahedra; corners with twelve Nd(1,1)Ca4Nd8 cuboctahedra; edges with eighteen Nd(1,1)Ca4Nd8 cuboctahedra; faces with eight equivalent Ca(1)Nd12 cuboctahedra; and faces with twelve Nd(1,1)Ca4Nd8 cuboctahedra. There are six shorter (3.72 Å) and six longer (3.74 Å) Ca(1)-Nd(1,1) bond lengths. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Ca(1) and eight Nd(1,1) atoms to form NdCa4Nd8 cuboctahedra that share corners with four equivalent Ca(1)Nd12 cuboctahedra; corners with fourteen Nd(1,1)Ca4Nd8 cuboctahedra; edges with six equivalent Ca(1)Nd12 cuboctahedra; edges with twelve Nd(1,1)Ca4Nd8 cuboctahedra; faces with four equivalent Ca(1)Nd12 cuboctahedra; and faces with sixteen Nd(1,1)Ca4Nd8 cuboctahedra. There are six shorter (3.68 Å) and two longer (3.80 Å) Nd(1)-Nd(1,1) bond lengths. In the second Nd site, Nd(1) is bonded to four equivalent Ca(1) and eight Nd(1,1) atoms to form NdCa4Nd8 cuboctahedra that share corners with four equivalent Ca(1)Nd12 cuboctahedra; corners with fourteen Nd(1,1)Ca4Nd8 cuboctahedra; edges with six equivalent Ca(1)Nd12 cuboctahedra; edges with twelve Nd(1,1)Ca4Nd8 cuboctahedra; faces with four equivalent Ca(1)Nd12 cuboctahedra; and faces with sixteen Nd(1,1)Ca4Nd8 cuboctahedra. Both Nd(1)-Nd(1) bond lengths are 3.68 Å.