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Materials Data on NdZr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1720931· OSTI ID:1720931
NdZr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded to six equivalent Nd and six equivalent Zr atoms to form NdNd6Zr6 cuboctahedra that share corners with eighteen equivalent NdNd6Zr6 cuboctahedra, edges with six equivalent NdNd6Zr6 cuboctahedra, edges with twelve equivalent ZrNd6Zr6 cuboctahedra, faces with eight equivalent NdNd6Zr6 cuboctahedra, and faces with twelve equivalent ZrNd6Zr6 cuboctahedra. All Nd–Nd bond lengths are 3.41 Å. All Nd–Zr bond lengths are 3.43 Å. Zr is bonded to six equivalent Nd and six equivalent Zr atoms to form ZrNd6Zr6 cuboctahedra that share corners with eighteen equivalent ZrNd6Zr6 cuboctahedra, edges with six equivalent ZrNd6Zr6 cuboctahedra, edges with twelve equivalent NdNd6Zr6 cuboctahedra, faces with eight equivalent ZrNd6Zr6 cuboctahedra, and faces with twelve equivalent NdNd6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.41 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:
1720931
Report Number(s):
mp-1186337
Country of Publication:
United States
Language:
English

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