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Title: Materials Data on Mn3AlN by Materials Project

Abstract

Mn3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Mn–Al bond lengths are 2.67 Å. Both Mn–N bond lengths are 1.88 Å. Al is bonded to twelve equivalent Mn atoms to form AlMn12 cuboctahedra that share corners with twelve equivalent AlMn12 cuboctahedra, faces with six equivalent AlMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent AlMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1207055
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; Mn3AlN; Al-Mn-N
OSTI Identifier:
1706801
DOI:
https://doi.org/10.17188/1706801

Citation Formats

The Materials Project. Materials Data on Mn3AlN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706801.
The Materials Project. Materials Data on Mn3AlN by Materials Project. United States. doi:https://doi.org/10.17188/1706801
The Materials Project. 2020. "Materials Data on Mn3AlN by Materials Project". United States. doi:https://doi.org/10.17188/1706801. https://www.osti.gov/servlets/purl/1706801. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1706801,
title = {Materials Data on Mn3AlN by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Mn–Al bond lengths are 2.67 Å. Both Mn–N bond lengths are 1.88 Å. Al is bonded to twelve equivalent Mn atoms to form AlMn12 cuboctahedra that share corners with twelve equivalent AlMn12 cuboctahedra, faces with six equivalent AlMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent AlMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1706801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}