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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-2044
- 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; Zr5Al3; Al-Zr
- OSTI Identifier:
- 1195561
- DOI:
- https://doi.org/10.17188/1195561
Citation Formats
The Materials Project. Materials Data on Zr5Al3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195561.
The Materials Project. Materials Data on Zr5Al3 by Materials Project. United States. doi:https://doi.org/10.17188/1195561
The Materials Project. 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:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195561,
title = {Materials Data on Zr5Al3 by Materials Project},
author = {The 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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