Materials Data on NdTm3 by Materials Project

Tm3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to eight equivalent Tm and four equivalent Nd atoms to form TmNd4Tm8 cuboctahedra that share corners with four equivalent NdTm12 cuboctahedra, corners with fourteen TmNd4Tm8 cuboctahedra, edges with six equivalent NdTm12 cuboctahedra, edges with twelve equivalent TmNd4Tm8 cuboctahedra, faces with four equivalent NdTm12 cuboctahedra, and faces with sixteen TmNd4Tm8 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.50–3.65 Å. There are two shorter (3.54 Å) and two longer (3.60 Å) Tm–Nd bond lengths. In the second Tm site, Tm is bonded to eight Tm and four equivalent Nd atoms to form TmNd4Tm8 cuboctahedra that share corners with four equivalent NdTm12 cuboctahedra, corners with fourteen TmNd4Tm8 cuboctahedra, edges with six equivalent NdTm12 cuboctahedra, edges with twelve TmNd4Tm8 cuboctahedra, faces with four equivalent NdTm12 cuboctahedra, and faces with sixteen TmNd4Tm8 cuboctahedra. There are a spread of Tm–Tm bond distances ranging from 3.50–3.65 Å. There are two shorter (3.54 Å) and two longer (3.60 Å) Tm–Nd bond lengths. Nd is bonded to twelve Tm atoms to form NdTm12 cuboctahedra that share corners with six equivalent NdTm12 cuboctahedra, corners with twelve equivalent TmNd4Tm8 cuboctahedra, edges with eighteen TmNd4Tm8 cuboctahedra, faces with eight equivalent NdTm12 cuboctahedra, and faces with twelve TmNd4Tm8 cuboctahedra.