Title: Materials Data on Zr5Al3 by Materials Project

Abstract

Zr5Al3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 8-coordinate geometry to two equivalent Zr and six equivalent Al atoms. Both Zr–Zr bond lengths are 2.77 Å. All Zr–Al bond lengths are 2.92 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Al atoms. There are a spread of Zr–Al bond distances ranging from 2.86–3.07 Å. Al is bonded in a 9-coordinate geometry to nine Zr atoms.

Publication Date:
Other Number(s):
mp-2044
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Al-Zr; crystal structure; Zr5Al3
OSTI Identifier:
1195561
DOI:
https://doi.org/10.17188/1195561

Citation Formats

Materials Data on Zr5Al3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195561.
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Materials Data on Zr5Al3 by Materials Project. United States. doi:https://doi.org/10.17188/1195561
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2020. "Materials Data on Zr5Al3 by Materials Project". United States. doi:https://doi.org/10.17188/1195561. https://www.osti.gov/servlets/purl/1195561. Pub date:Tue Jul 14 20:00:00 EDT 2020
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@article{osti_1195561,
title = {Materials Data on Zr5Al3 by Materials Project},
abstractNote = {Zr5Al3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 8-coordinate geometry to two equivalent Zr and six equivalent Al atoms. Both Zr–Zr bond lengths are 2.77 Å. All Zr–Al bond lengths are 2.92 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Al atoms. There are a spread of Zr–Al bond distances ranging from 2.86–3.07 Å. Al is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1195561},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1195561
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