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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdHo3 by Materials Project

Ho3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with four equivalent NdHo12 cuboctahedra, corners with fourteen HoNd4Ho8 cuboctahedra, edges with six equivalent NdHo12 cuboctahedra, edges with twelve HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with sixteen HoNd4Ho8 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.53–3.66 Å. There are two shorter (3.55 Å) and two longer (3.63 Å) Ho–Nd bond lengths. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with four equivalent NdHo12 cuboctahedra, corners with fourteen HoNd4Ho8 cuboctahedra, edges with six equivalent NdHo12 cuboctahedra, edges with twelve equivalent HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with sixteen HoNd4Ho8 cuboctahedra. There are two shorter (3.55 Å) and two longer (3.63 Å) Ho–Nd bond lengths. Nd is bonded to twelve Ho atoms to form NdHo12 cuboctahedra that share corners with six equivalent NdHo12 cuboctahedra, corners with twelve HoNd4Ho8 cuboctahedra, edges with eighteen HoNd4Ho8 cuboctahedra, faces with eight equivalent NdHo12 cuboctahedra, and faces with twelve HoNd4Ho8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Ho by Materials Project

HoNd3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Nd atoms to form HoNd12 cuboctahedra that share corners with four equivalent HoNd12 cuboctahedra, corners with eight equivalent NdNd8Ho4 cuboctahedra, edges with eight equivalent HoNd12 cuboctahedra, edges with sixteen equivalent NdNd8Ho4 cuboctahedra, faces with four equivalent HoNd12 cuboctahedra, and faces with fourteen NdNd8Ho4 cuboctahedra. There are eight shorter (3.65 Å) and four longer (3.66 Å) Ho–Nd bond lengths. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded to four equivalent Ho and eight Nd atoms to form NdNd8Ho4 cuboctahedra that share corners with twelve equivalent NdNd8Ho4 cuboctahedra, edges with eight equivalent HoNd12 cuboctahedra, edges with sixteen NdNd8Ho4 cuboctahedra, faces with four equivalent HoNd12 cuboctahedra, and faces with fourteen NdNd8Ho4 cuboctahedra. There are four shorter (3.65 Å) and four longer (3.66 Å) Nd–Nd bond lengths. In the second Nd site, Nd is bonded to four equivalent Ho and eight equivalent Nd atoms to form NdNd8Ho4 cuboctahedra that share corners with four equivalent NdNd8Ho4 cuboctahedra, corners with eight equivalent HoNd12 cuboctahedra, edges with twenty-four NdNd8Ho4 cuboctahedra, faces with six equivalent HoNd12 cuboctahedra, and faces with twelve NdNd8Ho4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Ho by Materials Project

HoNd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Nd atoms to form HoNd12 cuboctahedra that share corners with twelve equivalent HoNd12 cuboctahedra, edges with twenty-four equivalent NdNd8Ho4 cuboctahedra, faces with six equivalent HoNd12 cuboctahedra, and faces with twelve equivalent NdNd8Ho4 cuboctahedra. All Ho–Nd bond lengths are 3.65 Å. Nd is bonded to four equivalent Ho and eight equivalent Nd atoms to form NdNd8Ho4 cuboctahedra that share corners with twelve equivalent NdNd8Ho4 cuboctahedra, edges with eight equivalent HoNd12 cuboctahedra, edges with sixteen equivalent NdNd8Ho4 cuboctahedra, faces with four equivalent HoNd12 cuboctahedra, and faces with fourteen equivalent NdNd8Ho4 cuboctahedra. All Nd–Nd bond lengths are 3.65 Å.

36 MATERIALS SCIENCE↗