Materials Data on PmY3 by Materials Project

Abstract

PmY3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pm is bonded to twelve Y atoms to form PmY12 cuboctahedra that share corners with four equivalent PmY12 cuboctahedra, corners with eight equivalent YPm4Y8 cuboctahedra, edges with eight equivalent PmY12 cuboctahedra, edges with sixteen equivalent YPm4Y8 cuboctahedra, faces with four equivalent PmY12 cuboctahedra, and faces with fourteen YPm4Y8 cuboctahedra. All Pm–Y bond lengths are 3.60 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Pm and eight Y atoms to form YPm4Y8 cuboctahedra that share corners with twelve equivalent YPm4Y8 cuboctahedra, edges with eight equivalent PmY12 cuboctahedra, edges with sixteen YPm4Y8 cuboctahedra, faces with four equivalent PmY12 cuboctahedra, and faces with fourteen YPm4Y8 cuboctahedra. All Y–Y bond lengths are 3.60 Å. In the second Y site, Y is bonded to four equivalent Pm and eight equivalent Y atoms to form YPm4Y8 cuboctahedra that share corners with four equivalent YPm4Y8 cuboctahedra, corners with eight equivalent PmY12 cuboctahedra, edges with twenty-four YPm4Y8 cuboctahedra, faces with six equivalent PmY12 cuboctahedra, and faces with twelve YPm4Y8 cuboctahedra.