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Materials Data on Nd3Y by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1711991· OSTI ID:1711991
Nd3Y is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to twelve Nd atoms to form NdNd12 cuboctahedra that share corners with six equivalent NdNd12 cuboctahedra, corners with six equivalent YNd6Y6 cuboctahedra, edges with six equivalent YNd6Y6 cuboctahedra, edges with eighteen NdNd12 cuboctahedra, and faces with eighteen NdNd12 cuboctahedra. There are six shorter (3.65 Å) and six longer (3.68 Å) Nd–Nd bond lengths. In the second Nd site, Nd is bonded to nine Nd and three equivalent Y atoms to form NdNd9Y3 cuboctahedra that share corners with eighteen equivalent NdNd9Y3 cuboctahedra, edges with six equivalent YNd6Y6 cuboctahedra, edges with twelve NdNd12 cuboctahedra, faces with six equivalent YNd6Y6 cuboctahedra, and faces with fourteen NdNd12 cuboctahedra. All Nd–Nd bond lengths are 3.65 Å. All Nd–Y bond lengths are 3.61 Å. Y is bonded to six equivalent Nd and six equivalent Y atoms to form YNd6Y6 cuboctahedra that share corners with six equivalent NdNd12 cuboctahedra, corners with six equivalent YNd6Y6 cuboctahedra, edges with six equivalent YNd6Y6 cuboctahedra, edges with eighteen NdNd12 cuboctahedra, faces with six equivalent YNd6Y6 cuboctahedra, and faces with twelve equivalent NdNd9Y3 cuboctahedra. All Y–Y bond lengths are 3.65 Å.
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:
1711991
Report Number(s):
mp-1220208
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Nd-Y
Nd3Y
crystal structure