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Title: Materials Data on Mg3(MnAl9)2 by Materials Project

Abstract

Al18Mg3Mn2 crystallizes in the cubic Fd-3m 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 four equivalent Mg and twelve equivalent Al atoms. All Mg–Mg bond lengths are 3.12 Å. All Mg–Al bond lengths are 3.20 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and twelve equivalent Al atoms. All Mg–Al bond lengths are 3.09 Å. Mn is bonded to twelve Al atoms to form MnAl12 cuboctahedra that share corners with six equivalent MnAl12 cuboctahedra, edges with eighteen equivalent AlMg3MnAl8 cuboctahedra, and faces with six equivalent AlMg3MnAl8 cuboctahedra. There are six shorter (2.56 Å) and six longer (2.78 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to three Mg, one Mn, and eight Al atoms to form AlMg3MnAl8 cuboctahedra that share corners with fifteen equivalent AlMg3MnAl8 cuboctahedra, edges with two equivalent AlMg3MnAl8 cuboctahedra, edges with three equivalent MnAl12 cuboctahedra, a faceface with one MnAl12 cuboctahedra, and faces with fifteen equivalent AlMg3MnAl8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.71–2.90 Å. Inmore » the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Mn and ten Al atoms. All Al–Al bond lengths are 2.80 Å.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-684027
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; Mg3(MnAl9)2; Al-Mg-Mn
OSTI Identifier:
1283859
DOI:
10.17188/1283859

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mg3(MnAl9)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283859.
Persson, Kristin, & Project, Materials. Materials Data on Mg3(MnAl9)2 by Materials Project. United States. doi:10.17188/1283859.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mg3(MnAl9)2 by Materials Project". United States. doi:10.17188/1283859. https://www.osti.gov/servlets/purl/1283859. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1283859,
title = {Materials Data on Mg3(MnAl9)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Al18Mg3Mn2 crystallizes in the cubic Fd-3m 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 four equivalent Mg and twelve equivalent Al atoms. All Mg–Mg bond lengths are 3.12 Å. All Mg–Al bond lengths are 3.20 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and twelve equivalent Al atoms. All Mg–Al bond lengths are 3.09 Å. Mn is bonded to twelve Al atoms to form MnAl12 cuboctahedra that share corners with six equivalent MnAl12 cuboctahedra, edges with eighteen equivalent AlMg3MnAl8 cuboctahedra, and faces with six equivalent AlMg3MnAl8 cuboctahedra. There are six shorter (2.56 Å) and six longer (2.78 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to three Mg, one Mn, and eight Al atoms to form AlMg3MnAl8 cuboctahedra that share corners with fifteen equivalent AlMg3MnAl8 cuboctahedra, edges with two equivalent AlMg3MnAl8 cuboctahedra, edges with three equivalent MnAl12 cuboctahedra, a faceface with one MnAl12 cuboctahedra, and faces with fifteen equivalent AlMg3MnAl8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.71–2.90 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Mn and ten Al atoms. All Al–Al bond lengths are 2.80 Å.},
doi = {10.17188/1283859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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