Materials Data on Pm3Pa by Materials Project

Abstract

PaPm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pa is bonded to twelve Pm atoms to form PaPm12 cuboctahedra that share corners with four equivalent PaPm12 cuboctahedra, corners with eight equivalent PmPm8Pa4 cuboctahedra, edges with eight equivalent PaPm12 cuboctahedra, edges with sixteen equivalent PmPm8Pa4 cuboctahedra, faces with four equivalent PaPm12 cuboctahedra, and faces with fourteen PmPm8Pa4 cuboctahedra. There are four shorter (3.52 Å) and eight longer (3.55 Å) Pa–Pm bond lengths. There are two inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Pa and eight Pm atoms to form PmPm8Pa4 cuboctahedra that share corners with twelve equivalent PmPm8Pa4 cuboctahedra, edges with eight equivalent PaPm12 cuboctahedra, edges with sixteen PmPm8Pa4 cuboctahedra, faces with four equivalent PaPm12 cuboctahedra, and faces with fourteen PmPm8Pa4 cuboctahedra. There are four shorter (3.52 Å) and four longer (3.55 Å) Pm–Pm bond lengths. In the second Pm site, Pm is bonded to four equivalent Pa and eight equivalent Pm atoms to form distorted PmPm8Pa4 cuboctahedra that share corners with four equivalent PmPm8Pa4 cuboctahedra, corners with eight equivalent PaPm12 cuboctahedra, edges with twenty-four PmPm8Pa4 cuboctahedra, faces with six equivalent PaPm12 cuboctahedra, and faces with twelve PmPm8Pa4 cuboctahedra.