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Title: Materials Data on Al12Fe7 by Materials Project

Abstract

Fe7Al12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to one Fe and eight Al atoms. The Fe–Fe bond length is 2.74 Å. There are a spread of Fe–Al bond distances ranging from 2.44–2.56 Å. In the second Fe site, Fe is bonded in a 11-coordinate geometry to three Fe and eight Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.59–2.70 Å. There are a spread of Fe–Al bond distances ranging from 2.47–2.63 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to eight Al atoms. There are a spread of Fe–Al bond distances ranging from 2.46–2.59 Å. In the fourth Fe site, Fe is bonded in a 11-coordinate geometry to four Fe and seven Al atoms. The Fe–Fe bond length is 2.44 Å. There are a spread of Fe–Al bond distances ranging from 2.46–2.68 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to five Fe atoms. In the second Al site, Al is bonded in a 5-coordinate geometry tomore » five Fe atoms. In the third Al site, Al is bonded in a 5-coordinate geometry to five Fe atoms. In the fourth Al site, Al is bonded in a 12-coordinate geometry to four Fe atoms. In the fifth Al site, Al is bonded in a 5-coordinate geometry to five Fe atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to three Fe atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1214901
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Al12Fe7; Al-Fe
OSTI Identifier:
1731432
DOI:
https://doi.org/10.17188/1731432

Citation Formats

The Materials Project. Materials Data on Al12Fe7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731432.
The Materials Project. Materials Data on Al12Fe7 by Materials Project. United States. doi:https://doi.org/10.17188/1731432
The Materials Project. 2020. "Materials Data on Al12Fe7 by Materials Project". United States. doi:https://doi.org/10.17188/1731432. https://www.osti.gov/servlets/purl/1731432. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1731432,
title = {Materials Data on Al12Fe7 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe7Al12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to one Fe and eight Al atoms. The Fe–Fe bond length is 2.74 Å. There are a spread of Fe–Al bond distances ranging from 2.44–2.56 Å. In the second Fe site, Fe is bonded in a 11-coordinate geometry to three Fe and eight Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.59–2.70 Å. There are a spread of Fe–Al bond distances ranging from 2.47–2.63 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to eight Al atoms. There are a spread of Fe–Al bond distances ranging from 2.46–2.59 Å. In the fourth Fe site, Fe is bonded in a 11-coordinate geometry to four Fe and seven Al atoms. The Fe–Fe bond length is 2.44 Å. There are a spread of Fe–Al bond distances ranging from 2.46–2.68 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to five Fe atoms. In the second Al site, Al is bonded in a 5-coordinate geometry to five Fe atoms. In the third Al site, Al is bonded in a 5-coordinate geometry to five Fe atoms. In the fourth Al site, Al is bonded in a 12-coordinate geometry to four Fe atoms. In the fifth Al site, Al is bonded in a 5-coordinate geometry to five Fe atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to three Fe atoms.},
doi = {10.17188/1731432},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}