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Title: Materials Data on Mg3Zr by Materials Project

Abstract

Mg3Zr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Zr atoms. All Mg–Mg bond lengths are 3.05 Å. All Mg–Zr bond lengths are 3.53 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Zr atoms. All Mg–Zr bond lengths are 3.05 Å. Zr is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-1094467
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; Mg3Zr; Mg-Zr
OSTI Identifier:
1690929
DOI:
https://doi.org/10.17188/1690929

Citation Formats

The Materials Project. Materials Data on Mg3Zr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1690929.
The Materials Project. Materials Data on Mg3Zr by Materials Project. United States. doi:https://doi.org/10.17188/1690929
The Materials Project. 2020. "Materials Data on Mg3Zr by Materials Project". United States. doi:https://doi.org/10.17188/1690929. https://www.osti.gov/servlets/purl/1690929. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1690929,
title = {Materials Data on Mg3Zr by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Zr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Zr atoms. All Mg–Mg bond lengths are 3.05 Å. All Mg–Zr bond lengths are 3.53 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Zr atoms. All Mg–Zr bond lengths are 3.05 Å. Zr is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.},
doi = {10.17188/1690929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}