Materials Data on LaNd3 by Materials Project

Abstract

Nd3La is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to eight Nd and four equivalent La atoms to form NdLa4Nd8 cuboctahedra that share corners with twelve equivalent NdLa4Nd8 cuboctahedra, edges with eight equivalent LaNd12 cuboctahedra, edges with sixteen NdLa4Nd8 cuboctahedra, faces with four equivalent LaNd12 cuboctahedra, and faces with fourteen NdLa4Nd8 cuboctahedra. There are four shorter (3.70 Å) and four longer (3.72 Å) Nd–Nd bond lengths. All Nd–La bond lengths are 3.72 Å. In the second Nd site, Nd is bonded to eight equivalent Nd and four equivalent La atoms to form NdLa4Nd8 cuboctahedra that share corners with four equivalent NdLa4Nd8 cuboctahedra, corners with eight equivalent LaNd12 cuboctahedra, edges with twenty-four NdLa4Nd8 cuboctahedra, faces with six equivalent LaNd12 cuboctahedra, and faces with twelve NdLa4Nd8 cuboctahedra. All Nd–La bond lengths are 3.70 Å. La is bonded to twelve Nd atoms to form LaNd12 cuboctahedra that share corners with four equivalent LaNd12 cuboctahedra, corners with eight equivalent NdLa4Nd8 cuboctahedra, edges with eight equivalent LaNd12 cuboctahedra, edges with sixteen equivalent NdLa4Nd8 cuboctahedra, faces with four equivalent LaNd12 cuboctahedra, and faces with fourteen NdLa4Nd8 cuboctahedra.