Materials Data on CsPr3 by Materials Project
CsPr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded to twelve Pr atoms to form CsPr12 cuboctahedra that share corners with four equivalent CsPr12 cuboctahedra, corners with eight equivalent PrCs4Pr8 cuboctahedra, edges with eight equivalent CsPr12 cuboctahedra, edges with sixteen equivalent PrCs4Pr8 cuboctahedra, faces with four equivalent CsPr12 cuboctahedra, and faces with fourteen PrCs4Pr8 cuboctahedra. There are eight shorter (3.85 Å) and four longer (3.86 Å) Cs–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Cs and eight Pr atoms to form PrCs4Pr8 cuboctahedra that share corners with twelve equivalent PrCs4Pr8 cuboctahedra, edges with eight equivalent CsPr12 cuboctahedra, edges with sixteen PrCs4Pr8 cuboctahedra, faces with four equivalent CsPr12 cuboctahedra, and faces with fourteen PrCs4Pr8 cuboctahedra. There are four shorter (3.85 Å) and four longer (3.86 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Cs and eight equivalent Pr atoms to form PrCs4Pr8 cuboctahedra that share corners with four equivalent PrCs4Pr8 cuboctahedra, corners with eight equivalent CsPr12 cuboctahedra, edges with twenty-four PrCs4Pr8 cuboctahedra, faces with six equivalent CsPr12 cuboctahedra, and faces with twelve PrCs4Pr8 cuboctahedra.