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Title: Materials Data on Cr3Fe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1325028· OSTI ID:1325028

Cr3Fe is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Fe atoms. All Cr–Cr bond lengths are 2.47 Å. All Cr–Fe bond lengths are 2.47 Å. In the second Cr site, Cr is bonded in a 8-coordinate geometry to eight equivalent Cr and six equivalent Fe atoms. All Cr–Fe bond lengths are 2.85 Å. Fe is bonded in a distorted body-centered cubic geometry to fourteen Cr 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:
1325028
Report Number(s):
mp-1008282
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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