U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1079919
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mg-Mn; Mg3Mn; crystal structure
- OSTI Identifier:
- 1656322
- DOI:
- https://doi.org/10.17188/1656322
Citation Formats
Materials Data on Mg3Mn by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1656322.
Materials Data on Mg3Mn by Materials Project. United States. doi:https://doi.org/10.17188/1656322
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},
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}
}