Materials Data on Gd3Lu by Materials Project

Abstract

LuGd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Gd atoms to form LuGd12 cuboctahedra that share corners with six equivalent LuGd12 cuboctahedra, corners with twelve equivalent GdGd8Lu4 cuboctahedra, edges with eighteen equivalent GdGd8Lu4 cuboctahedra, faces with eight equivalent LuGd12 cuboctahedra, and faces with twelve equivalent GdGd8Lu4 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.58 Å) Lu–Gd bond lengths. Gd is bonded to four equivalent Lu and eight equivalent Gd atoms to form GdGd8Lu4 cuboctahedra that share corners with four equivalent LuGd12 cuboctahedra, corners with fourteen equivalent GdGd8Lu4 cuboctahedra, edges with six equivalent LuGd12 cuboctahedra, edges with twelve equivalent GdGd8Lu4 cuboctahedra, faces with four equivalent LuGd12 cuboctahedra, and faces with sixteen equivalent GdGd8Lu4 cuboctahedra. There are a spread of Gd–Gd bond distances ranging from 3.53–3.60 Å.