Materials Data on Nd3Ti by Materials Project

Abstract

Nd3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent Ti atoms to form distorted NdNd8Ti4 cuboctahedra that share corners with twelve equivalent NdNd8Ti4 cuboctahedra, edges with eight equivalent TiNd12 cuboctahedra, edges with sixteen equivalent NdNd8Ti4 cuboctahedra, faces with four equivalent TiNd12 cuboctahedra, and faces with fourteen equivalent NdNd8Ti4 cuboctahedra. All Nd–Nd bond lengths are 3.49 Å. All Nd–Ti bond lengths are 3.49 Å. Ti is bonded to twelve equivalent Nd atoms to form TiNd12 cuboctahedra that share corners with twelve equivalent TiNd12 cuboctahedra, edges with twenty-four equivalent NdNd8Ti4 cuboctahedra, faces with six equivalent TiNd12 cuboctahedra, and faces with twelve equivalent NdNd8Ti4 cuboctahedra.