U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg6MnSi by Materials Project
Abstract
Mg6MnSi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Mn, and two equivalent Si atoms to form distorted MgMg8Mn2Si2 cuboctahedra that share corners with four equivalent MnMg10Si2 cuboctahedra, corners with fourteen MgMg8Mn2Si2 cuboctahedra, edges with two equivalent MnMg10Si2 cuboctahedra, edges with eight MgMg8Mn2Si2 cuboctahedra, faces with two equivalent MnMg10Si2 cuboctahedra, and faces with eight MgMg8Mn2Si2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.99–3.16 Å. There are one shorter (2.93 Å) and one longer (3.21 Å) Mg–Mn bond lengths. Both Mg–Si bond lengths are 3.01 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Mn atoms to form MgMg10Mn2 cuboctahedra that share corners with four equivalent MnMg10Si2 cuboctahedra, corners with fourteen MgMg8Mn2Si2 cuboctahedra, edges with two equivalent MnMg10Si2 cuboctahedra, edges with eight MgMg8Mn2Si2 cuboctahedra, faces with two equivalent MnMg10Si2 cuboctahedra, and faces with eight MgMg8Mn2Si2 cuboctahedra. There are two shorter (2.98 Å) and four longer (2.99 Å) Mg–Mg bond lengths. Both Mg–Mn bond lengths are 3.10 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1023005
- 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; Mg6MnSi; Mg-Mn-Si
- OSTI Identifier:
- 1674545
- DOI:
- https://doi.org/10.17188/1674545
Citation Formats
The Materials Project. Materials Data on Mg6MnSi by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1674545.
The Materials Project. Materials Data on Mg6MnSi by Materials Project. United States. doi:https://doi.org/10.17188/1674545
The Materials Project. 2018.
"Materials Data on Mg6MnSi by Materials Project". United States. doi:https://doi.org/10.17188/1674545. https://www.osti.gov/servlets/purl/1674545. Pub date:Wed Oct 17 00:00:00 EDT 2018
@article{osti_1674545,
title = {Materials Data on Mg6MnSi by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6MnSi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Mn, and two equivalent Si atoms to form distorted MgMg8Mn2Si2 cuboctahedra that share corners with four equivalent MnMg10Si2 cuboctahedra, corners with fourteen MgMg8Mn2Si2 cuboctahedra, edges with two equivalent MnMg10Si2 cuboctahedra, edges with eight MgMg8Mn2Si2 cuboctahedra, faces with two equivalent MnMg10Si2 cuboctahedra, and faces with eight MgMg8Mn2Si2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.99–3.16 Å. There are one shorter (2.93 Å) and one longer (3.21 Å) Mg–Mn bond lengths. Both Mg–Si bond lengths are 3.01 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Mn atoms to form MgMg10Mn2 cuboctahedra that share corners with four equivalent MnMg10Si2 cuboctahedra, corners with fourteen MgMg8Mn2Si2 cuboctahedra, edges with two equivalent MnMg10Si2 cuboctahedra, edges with eight MgMg8Mn2Si2 cuboctahedra, faces with two equivalent MnMg10Si2 cuboctahedra, and faces with eight MgMg8Mn2Si2 cuboctahedra. There are two shorter (2.98 Å) and four longer (2.99 Å) Mg–Mg bond lengths. Both Mg–Mn bond lengths are 3.10 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent Mn, and two equivalent Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.99–3.20 Å. Both Mg–Mn bond lengths are 2.97 Å. There are one shorter (2.86 Å) and one longer (3.28 Å) Mg–Si bond lengths. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Si atoms to form distorted MgMg10Si2 cuboctahedra that share corners with six equivalent MgMg10Si2 cuboctahedra, edges with twelve MgMg8Mn2Si2 cuboctahedra, faces with six equivalent MnMg10Si2 cuboctahedra, and faces with eight MgMg8Mn2Si2 cuboctahedra. Both Mg–Si bond lengths are 3.10 Å. Mn is bonded to ten Mg and two equivalent Si atoms to form MnMg10Si2 cuboctahedra that share corners with six equivalent MnMg10Si2 cuboctahedra, corners with twelve MgMg8Mn2Si2 cuboctahedra, edges with six MgMg8Mn2Si2 cuboctahedra, faces with two equivalent MnMg10Si2 cuboctahedra, and faces with twelve MgMg8Mn2Si2 cuboctahedra. Both Mn–Si bond lengths are 2.83 Å. Si is bonded in a 12-coordinate geometry to ten Mg and two equivalent Mn atoms.},
doi = {10.17188/1674545},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {10}
}