Materials Data on LiGd3 by Materials Project
LiGd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Gd atoms to form LiGd12 cuboctahedra that share corners with six equivalent LiGd12 cuboctahedra, corners with twelve equivalent GdLi4Gd8 cuboctahedra, edges with eighteen equivalent GdLi4Gd8 cuboctahedra, faces with eight equivalent LiGd12 cuboctahedra, and faces with twelve equivalent GdLi4Gd8 cuboctahedra. There are six shorter (3.43 Å) and six longer (3.52 Å) Li–Gd bond lengths. Gd is bonded to four equivalent Li and eight equivalent Gd atoms to form distorted GdLi4Gd8 cuboctahedra that share corners with four equivalent LiGd12 cuboctahedra, corners with fourteen equivalent GdLi4Gd8 cuboctahedra, edges with six equivalent LiGd12 cuboctahedra, edges with twelve equivalent GdLi4Gd8 cuboctahedra, faces with four equivalent LiGd12 cuboctahedra, and faces with sixteen equivalent GdLi4Gd8 cuboctahedra. There are a spread of Gd–Gd bond distances ranging from 3.46–3.59 Å.