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Materials Data on Nd3Ho by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1315279· OSTI ID:1315279
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.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1315279
Report Number(s):
mp-976418
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Ho-Nd
Nd3Ho
crystal structure