Materials Data on Pm3Ho by Materials Project

Abstract

HoPm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Pm atoms to form HoPm12 cuboctahedra that share corners with four equivalent HoPm12 cuboctahedra, corners with eight equivalent PmPm8Ho4 cuboctahedra, edges with eight equivalent HoPm12 cuboctahedra, edges with sixteen equivalent PmPm8Ho4 cuboctahedra, faces with four equivalent HoPm12 cuboctahedra, and faces with fourteen PmPm8Ho4 cuboctahedra. There are four shorter (3.62 Å) and eight longer (3.63 Å) Ho–Pm bond lengths. There are two inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Ho and eight Pm atoms to form PmPm8Ho4 cuboctahedra that share corners with twelve equivalent PmPm8Ho4 cuboctahedra, edges with eight equivalent HoPm12 cuboctahedra, edges with sixteen PmPm8Ho4 cuboctahedra, faces with four equivalent HoPm12 cuboctahedra, and faces with fourteen PmPm8Ho4 cuboctahedra. There are four shorter (3.62 Å) and four longer (3.63 Å) Pm–Pm bond lengths. In the second Pm site, Pm is bonded to four equivalent Ho and eight equivalent Pm atoms to form PmPm8Ho4 cuboctahedra that share corners with four equivalent PmPm8Ho4 cuboctahedra, corners with eight equivalent HoPm12 cuboctahedra, edges with twenty-four PmPm8Ho4 cuboctahedra, faces with six equivalent HoPm12 cuboctahedra, and faces with twelve PmPm8Ho4 cuboctahedra.