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Title: Materials Data on V3Cu by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1272574· OSTI ID:1272574

V3Cu is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Cu atoms. All V–V bond lengths are 2.57 Å. All V–Cu bond lengths are 2.57 Å. In the second V site, V is bonded in a 8-coordinate geometry to eight equivalent V and six equivalent Cu atoms. All V–Cu bond lengths are 2.96 Å. Cu is bonded in a distorted body-centered cubic geometry to fourteen V 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:
1272574
Report Number(s):
mp-979283
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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