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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdHf by Materials Project

HfNd crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded to six equivalent Nd and six equivalent Hf atoms to form NdNd6Hf6 cuboctahedra that share corners with eighteen equivalent NdNd6Hf6 cuboctahedra, edges with six equivalent NdNd6Hf6 cuboctahedra, edges with twelve equivalent HfNd6Hf6 cuboctahedra, faces with eight equivalent NdNd6Hf6 cuboctahedra, and faces with twelve equivalent HfNd6Hf6 cuboctahedra. All Nd–Nd bond lengths are 3.38 Å. All Nd–Hf bond lengths are 3.41 Å. Hf is bonded to six equivalent Nd and six equivalent Hf atoms to form HfNd6Hf6 cuboctahedra that share corners with eighteen equivalent HfNd6Hf6 cuboctahedra, edges with six equivalent HfNd6Hf6 cuboctahedra, edges with twelve equivalent NdNd6Hf6 cuboctahedra, faces with eight equivalent HfNd6Hf6 cuboctahedra, and faces with twelve equivalent NdNd6Hf6 cuboctahedra. All Hf–Hf bond lengths are 3.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Hf by Materials Project

Nd3Hf is beta Cu3Ti-like 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 Hf atoms to form NdNd8Hf4 cuboctahedra that share corners with twelve equivalent NdNd8Hf4 cuboctahedra, edges with eight equivalent HfNd12 cuboctahedra, edges with sixteen NdNd8Hf4 cuboctahedra, faces with four equivalent HfNd12 cuboctahedra, and faces with fourteen NdNd8Hf4 cuboctahedra. There are four shorter (3.53 Å) and four longer (3.54 Å) Nd–Nd bond lengths. All Nd–Hf bond lengths are 3.53 Å. In the second Nd site, Nd is bonded to eight equivalent Nd and four equivalent Hf atoms to form NdNd8Hf4 cuboctahedra that share corners with four equivalent NdNd8Hf4 cuboctahedra, corners with eight equivalent HfNd12 cuboctahedra, edges with twenty-four NdNd8Hf4 cuboctahedra, faces with six equivalent HfNd12 cuboctahedra, and faces with twelve NdNd8Hf4 cuboctahedra. All Nd–Hf bond lengths are 3.54 Å. Hf is bonded to twelve Nd atoms to form HfNd12 cuboctahedra that share corners with four equivalent HfNd12 cuboctahedra, corners with eight equivalent NdNd8Hf4 cuboctahedra, edges with eight equivalent HfNd12 cuboctahedra, edges with sixteen equivalent NdNd8Hf4 cuboctahedra, faces with four equivalent HfNd12 cuboctahedra, and faces with fourteen NdNd8Hf4 cuboctahedra.

36 MATERIALS SCIENCE↗