DOE OSTI2020
Pr3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Cd atoms to form distorted PrPr8Cd4 cuboctahedra that share corners with twelve equivalent PrPr8Cd4 cuboctahedra, edges with eight equivalent CdPr12 cuboctahedra, edges with sixteen PrPr8Cd4 cuboctahedra, faces with four equivalent CdPr12 cuboctahedra, and faces with fourteen PrPr8Cd4 cuboctahedra. There are four shorter (3.51 Å) and four longer (3.57 Å) Pr–Pr bond lengths. All Pr–Cd bond lengths are 3.57 Å. In the second Pr site, Pr is bonded to eight equivalent Pr and four equivalent Cd atoms to form distorted PrPr8Cd4 cuboctahedra that share corners with four equivalent PrPr8Cd4 cuboctahedra, corners with eight equivalent CdPr12 cuboctahedra, edges with twenty-four PrPr8Cd4 cuboctahedra, faces with six equivalent CdPr12 cuboctahedra, and faces with twelve PrPr8Cd4 cuboctahedra. All Pr–Cd bond lengths are 3.51 Å. Cd is bonded to twelve Pr atoms to form CdPr12 cuboctahedra that share corners with four equivalent CdPr12 cuboctahedra, corners with eight equivalent PrPr8Cd4 cuboctahedra, edges with eight equivalent CdPr12 cuboctahedra, edges with sixteen equivalent PrPr8Cd4 cuboctahedra, faces with four equivalent CdPr12 cuboctahedra, and faces with fourteen PrPr8Cd4 cuboctahedra.