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Materials Data on Nd3Tm by Materials Project

TmNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Nd atoms to form TmNd12 cuboctahedra that share corners with six equivalent TmNd12 cuboctahedra, corners with twelve equivalent NdNd8Tm4 cuboctahedra, edges with eighteen equivalent NdNd8Tm4 cuboctahedra, faces with eight equivalent TmNd12 cuboctahedra, and faces with twelve equivalent NdNd8Tm4 cuboctahedra. There are six shorter (3.64 Å) and six longer (3.66 Å) Tm–Nd bond lengths. Nd is bonded to four equivalent Tm and eight equivalent Nd atoms to form NdNd8Tm4 cuboctahedra that share corners with four equivalent TmNd12 cuboctahedra, corners with fourteen equivalent NdNd8Tm4 cuboctahedra, edges with six equivalent TmNd12 cuboctahedra, edges with twelve equivalent NdNd8Tm4 cuboctahedra, faces with four equivalent TmNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Tm4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.63–3.69 Å.

36 MATERIALS SCIENCE↗