Materials Data on PrHo3 by Materials Project

Abstract

Ho3Pr crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Pr atoms to form HoPr4Ho8 cuboctahedra that share corners with twelve equivalent HoPr4Ho8 cuboctahedra, edges with eight equivalent PrHo12 cuboctahedra, edges with sixteen HoPr4Ho8 cuboctahedra, faces with four equivalent PrHo12 cuboctahedra, and faces with fourteen HoPr4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.58 Å. All Ho–Pr bond lengths are 3.58 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Pr atoms to form HoPr4Ho8 cuboctahedra that share corners with four equivalent HoPr4Ho8 cuboctahedra, corners with eight equivalent PrHo12 cuboctahedra, edges with twenty-four HoPr4Ho8 cuboctahedra, faces with six equivalent PrHo12 cuboctahedra, and faces with twelve HoPr4Ho8 cuboctahedra. All Ho–Pr bond lengths are 3.58 Å. Pr is bonded to twelve Ho atoms to form PrHo12 cuboctahedra that share corners with four equivalent PrHo12 cuboctahedra, corners with eight equivalent HoPr4Ho8 cuboctahedra, edges with eight equivalent PrHo12 cuboctahedra, edges with sixteen equivalent HoPr4Ho8 cuboctahedra, faces with four equivalent PrHo12 cuboctahedra, and faces with fourteen HoPr4Ho8 cuboctahedra.