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Materials Data on Zr5Pb3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1283750· OSTI ID:1283750
Zr5Pb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Zr–Pb bond distances ranging from 3.07–3.36 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.18 Å. Pb is bonded in a 9-coordinate geometry to nine Zr 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:
1283750
Report Number(s):
mp-681992
Country of Publication:
United States
Language:
English

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