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Title: Materials Data on Y2(MgZn)3 by Materials Project

Abstract

Mg3Zn3Y2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to three equivalent Mg and five Zn atoms. All Mg–Mg bond lengths are 3.03 Å. There are a spread of Mg–Zn bond distances ranging from 2.90–2.99 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to one Mg and seven Zn atoms. The Mg–Mg bond length is 3.11 Å. There are a spread of Mg–Zn bond distances ranging from 3.00–3.08 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to four Mg and four Y atoms. There are three shorter (3.08 Å) and one longer (3.11 Å) Mg–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to three equivalent Mg and five Zn atoms. There are a spread of Y–Zn bond distances ranging from 2.89–3.05 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to one Mg and seven Zn atoms. There are a spread of Y–Zn bond distances ranging from 2.96–3.11 Å. There are threemore » inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to four Mg and four Y atoms. In the second Zn site, Zn is bonded in a body-centered cubic geometry to four Mg and four Y atoms. In the third Zn site, Zn is bonded in a body-centered cubic geometry to four Mg and four Y atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1216143
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; Y2(MgZn)3; Mg-Y-Zn
OSTI Identifier:
1682827
DOI:
https://doi.org/10.17188/1682827

Citation Formats

The Materials Project. Materials Data on Y2(MgZn)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682827.
The Materials Project. Materials Data on Y2(MgZn)3 by Materials Project. United States. doi:https://doi.org/10.17188/1682827
The Materials Project. 2020. "Materials Data on Y2(MgZn)3 by Materials Project". United States. doi:https://doi.org/10.17188/1682827. https://www.osti.gov/servlets/purl/1682827. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1682827,
title = {Materials Data on Y2(MgZn)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Zn3Y2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to three equivalent Mg and five Zn atoms. All Mg–Mg bond lengths are 3.03 Å. There are a spread of Mg–Zn bond distances ranging from 2.90–2.99 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to one Mg and seven Zn atoms. The Mg–Mg bond length is 3.11 Å. There are a spread of Mg–Zn bond distances ranging from 3.00–3.08 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to four Mg and four Y atoms. There are three shorter (3.08 Å) and one longer (3.11 Å) Mg–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to three equivalent Mg and five Zn atoms. There are a spread of Y–Zn bond distances ranging from 2.89–3.05 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to one Mg and seven Zn atoms. There are a spread of Y–Zn bond distances ranging from 2.96–3.11 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to four Mg and four Y atoms. In the second Zn site, Zn is bonded in a body-centered cubic geometry to four Mg and four Y atoms. In the third Zn site, Zn is bonded in a body-centered cubic geometry to four Mg and four Y atoms.},
doi = {10.17188/1682827},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}