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Title: Materials Data on Al6Fe by Materials Project

Abstract

Al6Fe crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Fe is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.43–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.90 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to one Fe and four equivalent Al atoms. In the third Al site, Al is bonded in a 1-coordinate geometry to one Fe and four equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and four equivalent Al atoms.

Publication Date:
Other Number(s):
mp-570001
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; Al6Fe; Al-Fe
OSTI Identifier:
1275410
DOI:
10.17188/1275410

Citation Formats

The Materials Project. Materials Data on Al6Fe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275410.
The Materials Project. Materials Data on Al6Fe by Materials Project. United States. doi:10.17188/1275410.
The Materials Project. 2020. "Materials Data on Al6Fe by Materials Project". United States. doi:10.17188/1275410. https://www.osti.gov/servlets/purl/1275410. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275410,
title = {Materials Data on Al6Fe by Materials Project},
author = {The Materials Project},
abstractNote = {Al6Fe crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Fe is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.43–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.90 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to one Fe and four equivalent Al atoms. In the third Al site, Al is bonded in a 1-coordinate geometry to one Fe and four equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and four equivalent Al atoms.},
doi = {10.17188/1275410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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