Materials Data on LaGd3 by Materials Project

Abstract

Gd3La crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded to eight Gd and four equivalent La atoms to form GdLa4Gd8 cuboctahedra that share corners with twelve equivalent GdLa4Gd8 cuboctahedra, edges with eight equivalent LaGd12 cuboctahedra, edges with sixteen GdLa4Gd8 cuboctahedra, faces with four equivalent LaGd12 cuboctahedra, and faces with fourteen GdLa4Gd8 cuboctahedra. There are four shorter (3.63 Å) and four longer (3.64 Å) Gd–Gd bond lengths. All Gd–La bond lengths are 3.63 Å. In the second Gd site, Gd is bonded to eight equivalent Gd and four equivalent La atoms to form GdLa4Gd8 cuboctahedra that share corners with four equivalent GdLa4Gd8 cuboctahedra, corners with eight equivalent LaGd12 cuboctahedra, edges with twenty-four GdLa4Gd8 cuboctahedra, faces with six equivalent LaGd12 cuboctahedra, and faces with twelve GdLa4Gd8 cuboctahedra. All Gd–La bond lengths are 3.64 Å. La is bonded to twelve Gd atoms to form LaGd12 cuboctahedra that share corners with four equivalent LaGd12 cuboctahedra, corners with eight equivalent GdLa4Gd8 cuboctahedra, edges with eight equivalent LaGd12 cuboctahedra, edges with sixteen equivalent GdLa4Gd8 cuboctahedra, faces with four equivalent LaGd12 cuboctahedra, and faces with fourteen GdLa4Gd8 cuboctahedra.