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Materials Data on ZrSiPd by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313388· OSTI ID:1313388
ZrPdSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr2+ is bonded in a 10-coordinate geometry to four equivalent Pd2+ and six equivalent Si4- atoms. All Zr–Pd bond lengths are 2.65 Å. All Zr–Si bond lengths are 3.06 Å. Pd2+ is bonded in a distorted body-centered cubic geometry to four equivalent Zr2+ and four equivalent Si4- atoms. All Pd–Si bond lengths are 2.65 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Zr2+ and four equivalent Pd2+ 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:
1313388
Report Number(s):
mp-961661
Country of Publication:
United States
Language:
English

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