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Title: Materials Data on Fe8N by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-555
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Fe8N; Fe-N
OSTI Identifier:
1268293
DOI:
10.17188/1268293

Citation Formats

The Materials Project. Materials Data on Fe8N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268293.
The Materials Project. Materials Data on Fe8N by Materials Project. United States. doi:10.17188/1268293.
The Materials Project. 2020. "Materials Data on Fe8N by Materials Project". United States. doi:10.17188/1268293. https://www.osti.gov/servlets/purl/1268293. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1268293,
title = {Materials Data on Fe8N by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1268293},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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