DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

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; 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; 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}
}