Materials Data on PmY3 by Materials Project

Abstract

PmY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pm is bonded to twelve equivalent Y atoms to form PmY12 cuboctahedra that share corners with six equivalent PmY12 cuboctahedra, corners with twelve equivalent YPm4Y8 cuboctahedra, edges with eighteen equivalent YPm4Y8 cuboctahedra, faces with eight equivalent PmY12 cuboctahedra, and faces with twelve equivalent YPm4Y8 cuboctahedra. There are six shorter (3.59 Å) and six longer (3.66 Å) Pm–Y bond lengths. Y is bonded to four equivalent Pm and eight equivalent Y atoms to form YPm4Y8 cuboctahedra that share corners with four equivalent PmY12 cuboctahedra, corners with fourteen equivalent YPm4Y8 cuboctahedra, edges with six equivalent PmY12 cuboctahedra, edges with twelve equivalent YPm4Y8 cuboctahedra, faces with four equivalent PmY12 cuboctahedra, and faces with sixteen equivalent YPm4Y8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.58–3.68 Å.