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Title: Materials Data on Mg2Al4Zn3 by Materials Project

Abstract

Mg2Zn3Al4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg and twelve Al atoms. There are two shorter (3.36 Å) and one longer (3.39 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 3.07–3.24 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg, nine Zn, and three equivalent Al atoms. There are two shorter (3.38 Å) and one longer (3.42 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 3.06–3.26 Å. There are two shorter (3.17 Å) and one longer (3.19 Å) Mg–Al bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Mg, four Zn, and two Al atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.73 Å. There are one shorter (2.63 Å) and one longer (2.69 Å) Zn–Al bond lengths. In the second Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Mg, four equivalent Zn,more » and two Al atoms. There are one shorter (2.63 Å) and one longer (2.70 Å) Zn–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Mg and six Zn atoms to form edge-sharing AlMg6Zn6 cuboctahedra. In the second Al site, Al is bonded to six equivalent Mg and six Al atoms to form edge-sharing AlMg6Al6 cuboctahedra. There are four shorter (2.68 Å) and two longer (2.69 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 9-coordinate geometry to three equivalent Mg, one Zn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.71 Å. In the fourth Al site, Al is bonded in a 9-coordinate geometry to three equivalent Mg, one Zn, and five Al atoms.« less

Publication Date:
Other Number(s):
mp-1222169
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; Mg2Al4Zn3; Al-Mg-Zn
OSTI Identifier:
1749562
DOI:
https://doi.org/10.17188/1749562

Citation Formats

The Materials Project. Materials Data on Mg2Al4Zn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749562.
The Materials Project. Materials Data on Mg2Al4Zn3 by Materials Project. United States. doi:https://doi.org/10.17188/1749562
The Materials Project. 2020. "Materials Data on Mg2Al4Zn3 by Materials Project". United States. doi:https://doi.org/10.17188/1749562. https://www.osti.gov/servlets/purl/1749562. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749562,
title = {Materials Data on Mg2Al4Zn3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Zn3Al4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg and twelve Al atoms. There are two shorter (3.36 Å) and one longer (3.39 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 3.07–3.24 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg, nine Zn, and three equivalent Al atoms. There are two shorter (3.38 Å) and one longer (3.42 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 3.06–3.26 Å. There are two shorter (3.17 Å) and one longer (3.19 Å) Mg–Al bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Mg, four Zn, and two Al atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–2.73 Å. There are one shorter (2.63 Å) and one longer (2.69 Å) Zn–Al bond lengths. In the second Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Mg, four equivalent Zn, and two Al atoms. There are one shorter (2.63 Å) and one longer (2.70 Å) Zn–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Mg and six Zn atoms to form edge-sharing AlMg6Zn6 cuboctahedra. In the second Al site, Al is bonded to six equivalent Mg and six Al atoms to form edge-sharing AlMg6Al6 cuboctahedra. There are four shorter (2.68 Å) and two longer (2.69 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 9-coordinate geometry to three equivalent Mg, one Zn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.71 Å. In the fourth Al site, Al is bonded in a 9-coordinate geometry to three equivalent Mg, one Zn, and five Al atoms.},
doi = {10.17188/1749562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}