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Title: Materials Data on Mn5Al8 by Materials Project

Abstract

Al8Mn5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded to nine Mn and three equivalent Al atoms to form distorted MnMn9Al3 cuboctahedra that share faces with two equivalent AlMn3Al9 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.29–2.64 Å. All Mn–Al bond lengths are 2.55 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Mn and six Al atoms. There are a spread of Mn–Mn bond distances ranging from 2.54–2.67 Å. There are a spread of Mn–Al bond distances ranging from 2.41–2.62 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to five Mn and seven Al atoms. Both Mn–Mn bond lengths are 2.76 Å. There are a spread of Mn–Al bond distances ranging from 2.49–2.62 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to four Mn and eight Al atoms. There are a spread of Mn–Al bond distances ranging from 2.52–2.82 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded inmore » a 12-coordinate geometry to four Mn and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.88 Å. In the second Al site, Al is bonded in a 11-coordinate geometry to three Mn and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.56–2.89 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to five Mn and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.79–3.02 Å. In the fourth Al site, Al is bonded to three equivalent Mn and nine Al atoms to form distorted AlMn3Al9 cuboctahedra that share faces with two equivalent MnMn9Al3 cuboctahedra. All Al–Al bond lengths are 2.66 Å. In the fifth Al site, Al is bonded in a 1-coordinate geometry to four Mn and nine Al atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1194040
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; Mn5Al8; Al-Mn
OSTI Identifier:
1740358
DOI:
https://doi.org/10.17188/1740358

Citation Formats

The Materials Project. Materials Data on Mn5Al8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740358.
The Materials Project. Materials Data on Mn5Al8 by Materials Project. United States. doi:https://doi.org/10.17188/1740358
The Materials Project. 2020. "Materials Data on Mn5Al8 by Materials Project". United States. doi:https://doi.org/10.17188/1740358. https://www.osti.gov/servlets/purl/1740358. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1740358,
title = {Materials Data on Mn5Al8 by Materials Project},
author = {The Materials Project},
abstractNote = {Al8Mn5 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded to nine Mn and three equivalent Al atoms to form distorted MnMn9Al3 cuboctahedra that share faces with two equivalent AlMn3Al9 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.29–2.64 Å. All Mn–Al bond lengths are 2.55 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Mn and six Al atoms. There are a spread of Mn–Mn bond distances ranging from 2.54–2.67 Å. There are a spread of Mn–Al bond distances ranging from 2.41–2.62 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to five Mn and seven Al atoms. Both Mn–Mn bond lengths are 2.76 Å. There are a spread of Mn–Al bond distances ranging from 2.49–2.62 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to four Mn and eight Al atoms. There are a spread of Mn–Al bond distances ranging from 2.52–2.82 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four Mn and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.88 Å. In the second Al site, Al is bonded in a 11-coordinate geometry to three Mn and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.56–2.89 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to five Mn and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.79–3.02 Å. In the fourth Al site, Al is bonded to three equivalent Mn and nine Al atoms to form distorted AlMn3Al9 cuboctahedra that share faces with two equivalent MnMn9Al3 cuboctahedra. All Al–Al bond lengths are 2.66 Å. In the fifth Al site, Al is bonded in a 1-coordinate geometry to four Mn and nine Al atoms.},
doi = {10.17188/1740358},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}