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Title: Materials Data on Zr6Al2Fe by Materials Project

Abstract

Zr6FeAl2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to one Fe and four equivalent Al atoms. The Zr–Fe bond length is 3.18 Å. All Zr–Al bond lengths are 2.95 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe and two equivalent Al atoms. Both Zr–Fe bond lengths are 2.59 Å. Both Zr–Al bond lengths are 3.05 Å. Fe is bonded in a 6-coordinate geometry to nine Zr atoms. Al is bonded in a 9-coordinate geometry to nine Zr atoms.

Publication Date:
Other Number(s):
mp-11038
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; Zr6Al2Fe; Al-Fe-Zr
OSTI Identifier:
1187541
DOI:
10.17188/1187541

Citation Formats

The Materials Project. Materials Data on Zr6Al2Fe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187541.
The Materials Project. Materials Data on Zr6Al2Fe by Materials Project. United States. doi:10.17188/1187541.
The Materials Project. 2020. "Materials Data on Zr6Al2Fe by Materials Project". United States. doi:10.17188/1187541. https://www.osti.gov/servlets/purl/1187541. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187541,
title = {Materials Data on Zr6Al2Fe by Materials Project},
author = {The Materials Project},
abstractNote = {Zr6FeAl2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to one Fe and four equivalent Al atoms. The Zr–Fe bond length is 3.18 Å. All Zr–Al bond lengths are 2.95 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe and two equivalent Al atoms. Both Zr–Fe bond lengths are 2.59 Å. Both Zr–Al bond lengths are 3.05 Å. Fe is bonded in a 6-coordinate geometry to nine Zr atoms. Al is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1187541},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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