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Materials Data on YZr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313675· OSTI ID:1313675
ZrY crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Y is bonded to six equivalent Y and six equivalent Zr atoms to form YY6Zr6 cuboctahedra that share corners with eighteen equivalent YY6Zr6 cuboctahedra, edges with six equivalent YY6Zr6 cuboctahedra, edges with twelve equivalent ZrY6Zr6 cuboctahedra, faces with eight equivalent YY6Zr6 cuboctahedra, and faces with twelve equivalent ZrY6Zr6 cuboctahedra. All Y–Y bond lengths are 3.42 Å. All Y–Zr bond lengths are 3.35 Å. Zr is bonded to six equivalent Y and six equivalent Zr atoms to form ZrY6Zr6 cuboctahedra that share corners with eighteen equivalent ZrY6Zr6 cuboctahedra, edges with six equivalent ZrY6Zr6 cuboctahedra, edges with twelve equivalent YY6Zr6 cuboctahedra, faces with eight equivalent ZrY6Zr6 cuboctahedra, and faces with twelve equivalent YY6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.42 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:
1313675
Report Number(s):
mp-971933
Country of Publication:
United States
Language:
English

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