Materials Data on CePm3 by Materials Project

Abstract

Pm3Ce is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent Ce atoms to form PmCe4Pm8 cuboctahedra that share corners with twelve equivalent PmCe4Pm8 cuboctahedra, edges with eight equivalent CePm12 cuboctahedra, edges with sixteen PmCe4Pm8 cuboctahedra, faces with four equivalent CePm12 cuboctahedra, and faces with fourteen PmCe4Pm8 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.66 Å) Pm–Pm bond lengths. All Pm–Ce bond lengths are 3.66 Å. In the second Pm site, Pm is bonded to eight equivalent Pm and four equivalent Ce atoms to form PmCe4Pm8 cuboctahedra that share corners with four equivalent PmCe4Pm8 cuboctahedra, corners with eight equivalent CePm12 cuboctahedra, edges with twenty-four PmCe4Pm8 cuboctahedra, faces with six equivalent CePm12 cuboctahedra, and faces with twelve PmCe4Pm8 cuboctahedra. All Pm–Ce bond lengths are 3.64 Å. Ce is bonded to twelve Pm atoms to form CePm12 cuboctahedra that share corners with four equivalent CePm12 cuboctahedra, corners with eight equivalent PmCe4Pm8 cuboctahedra, edges with eight equivalent CePm12 cuboctahedra, edges with sixteen equivalent PmCe4Pm8 cuboctahedra, faces with four equivalent CePm12 cuboctahedra, and faces with fourteen PmCe4Pm8 cuboctahedra.