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Title: Materials Data on AlCu3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189184· OSTI ID:1189184

Cu3Al is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 8-coordinate geometry to eight equivalent Cu and six equivalent Al atoms. All Cu–Cu bond lengths are 2.53 Å. All Cu–Al bond lengths are 2.92 Å. In the second Cu site, Cu is bonded in a distorted body-centered cubic geometry to four equivalent Cu and four equivalent Al atoms. All Cu–Al bond lengths are 2.53 Å. Al is bonded in a distorted body-centered cubic geometry to fourteen Cu atoms.

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:
1189184
Report Number(s):
mp-12777
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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