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Title: Materials Data on Zr3Au by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1187686· OSTI ID:1187686

AuZr3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent Zr and four equivalent Au atoms. Both Zr–Zr bond lengths are 2.77 Å. All Zr–Au bond lengths are 3.10 Å. Au is bonded to twelve equivalent Zr atoms to form a mixture of edge and face-sharing AuZr12 cuboctahedra.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1187686
Report Number(s):
mp-11263
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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