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Materials Data on ZrSbRu by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205672· OSTI ID:1205672
SbRuZr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to four equivalent Ru and six equivalent Sb atoms to form a mixture of distorted face and corner-sharing ZrSb6Ru4 tetrahedra. All Zr–Ru bond lengths are 2.75 Å. All Zr–Sb bond lengths are 3.18 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.75 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Ru atoms.
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:
1205672
Report Number(s):
mp-31457
Country of Publication:
United States
Language:
English

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