CaPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to twelve Pr(1,1,1) atoms to form CaPr12 cuboctahedra that share corners with six equivalent Ca(1)Pr12 cuboctahedra; corners with twelve Pr(1,1,1)Ca4Pr8 cuboctahedra; edges with eighteen Pr(1,1,1)Ca4Pr8 cuboctahedra; faces with eight equivalent Ca(1)Pr12 cuboctahedra; and faces with twelve Pr(1,1,1)Ca4Pr8 cuboctahedra. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Ca(1) and eight Pr(1,1,1) atoms to form PrCa4Pr8 cuboctahedra that share corners with four equivalent Ca(1)Pr12 cuboctahedra; corners with fourteen Pr(1,1)Ca4Pr8 cuboctahedra; edges with six equivalent Ca(1)Pr12 cuboctahedra; edges with twelve Pr(1,1,1)Ca4Pr8 cuboctahedra; faces with four equivalent Ca(1)Pr12 cuboctahedra; and faces with sixteen Pr(1,1,1)Ca4Pr8 cuboctahedra. In the second Pr site, Pr(1) is bonded to four equivalent Ca(1) and eight Pr(1,1) atoms to form PrCa4Pr8 cuboctahedra that share corners with four equivalent Ca(1)Pr12 cuboctahedra; corners with fourteen Pr(1,1)Ca4Pr8 cuboctahedra; edges with six equivalent Ca(1)Pr12 cuboctahedra; edges with twelve Pr(1,1)Ca4Pr8 cuboctahedra; faces with four equivalent Ca(1)Pr12 cuboctahedra; and faces with sixteen Pr(1,1,1)Ca4Pr8 cuboctahedra. In the third Pr site, Pr(1) is bonded to four equivalent Ca(1) and eight Pr(1,1) atoms to form PrCa4Pr8 cuboctahedra that share corners with four equivalent Ca(1)Pr12 cuboctahedra; corners with fourteen Pr(1,1,1)Ca4Pr8 cuboctahedra; edges with six equivalent Ca(1)Pr12 cuboctahedra; edges with twelve Pr(1,1)Ca4Pr8 cuboctahedra; faces with four equivalent Ca(1)Pr12 cuboctahedra; and faces with sixteen Pr(1,1,1)Ca4Pr8 cuboctahedra.
CaPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to twelve Pr(1,1,1) atoms to form CaPr12 cuboctahedra that share corners with six equivalent Ca(1)Pr12 cuboctahedra; corners with twelve Pr(1,1,1)Ca4Pr8 cuboctahedra; edges with eighteen Pr(1,1,1)Ca4Pr8 cuboctahedra; faces with eight equivalent Ca(1)Pr12 cuboctahedra; and faces with twelve Pr(1,1,1)Ca4Pr8 cuboctahedra. There are six shorter (3.75 Å) and six longer (3.77 Å) Ca(1)-Pr(1,1,1) bond lengths. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Ca(1) and eight Pr(1,1,1) atoms to form PrCa4Pr8 cuboctahedra that share corners with four equivalent Ca(1)Pr12 cuboctahedra; corners with fourteen Pr(1,1)Ca4Pr8 cuboctahedra; edges with six equivalent Ca(1)Pr12 cuboctahedra; edges with twelve Pr(1,1,1)Ca4Pr8 cuboctahedra; faces with four equivalent Ca(1)Pr12 cuboctahedra; and faces with sixteen Pr(1,1,1)Ca4Pr8 cuboctahedra. There are a spread of Pr(1)-Pr(1,1,1) bond distances ranging from 3.72-3.81 Å. In the second Pr site, Pr(1) is bonded to four equivalent Ca(1) and eight Pr(1,1) atoms to form PrCa4Pr8 cuboctahedra that share corners with four equivalent Ca(1)Pr12 cuboctahedra; corners with fourteen Pr(1,1)Ca4Pr8 cuboctahedra; edges with six equivalent Ca(1)Pr12 cuboctahedra; edges with twelve Pr(1,1)Ca4Pr8 cuboctahedra; faces with four equivalent Ca(1)Pr12 cuboctahedra; and faces with sixteen Pr(1,1,1)Ca4Pr8 cuboctahedra. Both Pr(1)-Pr(1) bond lengths are 3.72 Å. In the third Pr site, Pr(1) is bonded to four equivalent Ca(1) and eight Pr(1,1) atoms to form PrCa4Pr8 cuboctahedra that share corners with four equivalent Ca(1)Pr12 cuboctahedra; corners with fourteen Pr(1,1,1)Ca4Pr8 cuboctahedra; edges with six equivalent Ca(1)Pr12 cuboctahedra; edges with twelve Pr(1,1)Ca4Pr8 cuboctahedra; faces with four equivalent Ca(1)Pr12 cuboctahedra; and faces with sixteen Pr(1,1,1)Ca4Pr8 cuboctahedra. There is one shorter (3.73 Å) and one longer (3.81 Å) Pr(1)-Pr(1) bond length.