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Title: Materials Data on Fe8N by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1268293· OSTI ID:1268293

Fe8N crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.55 Å. In the second Fe site, Fe is bonded in a single-bond geometry to one N atom. The Fe–N bond length is 1.83 Å. In the third Fe site, Fe is bonded in a single-bond geometry to four equivalent Fe and one N atom. The Fe–N bond length is 1.96 Å. N is bonded in an octahedral geometry to six Fe 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:
1268293
Report Number(s):
mp-555
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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