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Title: Materials Data on Mg3Mn by Materials Project

Abstract

Mg3Mn crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Mg3Mn sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 120 degrees geometry to two equivalent Mn atoms. There are one shorter (2.75 Å) and one longer (2.79 Å) Mg–Mn bond lengths. In the second Mg site, Mg is bonded in a distorted bent 120 degrees geometry to two equivalent Mn atoms. Both Mg–Mn bond lengths are 2.84 Å. In the third Mg site, Mg is bonded to four equivalent Mn atoms to form a mixture of distorted edge and corner-sharing MgMn4 tetrahedra. There are a spread of Mg–Mn bond distances ranging from 2.86–2.94 Å. Mn is bonded in a body-centered cubic geometry to eight Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-1079919
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; Mg3Mn; Mg-Mn
OSTI Identifier:
1656322
DOI:
https://doi.org/10.17188/1656322

Citation Formats

The Materials Project. Materials Data on Mg3Mn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656322.
The Materials Project. Materials Data on Mg3Mn by Materials Project. United States. doi:https://doi.org/10.17188/1656322
The Materials Project. 2020. "Materials Data on Mg3Mn by Materials Project". United States. doi:https://doi.org/10.17188/1656322. https://www.osti.gov/servlets/purl/1656322. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1656322,
title = {Materials Data on Mg3Mn by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Mn crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Mg3Mn sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 120 degrees geometry to two equivalent Mn atoms. There are one shorter (2.75 Å) and one longer (2.79 Å) Mg–Mn bond lengths. In the second Mg site, Mg is bonded in a distorted bent 120 degrees geometry to two equivalent Mn atoms. Both Mg–Mn bond lengths are 2.84 Å. In the third Mg site, Mg is bonded to four equivalent Mn atoms to form a mixture of distorted edge and corner-sharing MgMn4 tetrahedra. There are a spread of Mg–Mn bond distances ranging from 2.86–2.94 Å. Mn is bonded in a body-centered cubic geometry to eight Mg atoms.},
doi = {10.17188/1656322},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}