U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg6AlC by Materials Project
Abstract
Mg6AlC 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 in a 12-coordinate geometry to eight Mg, two equivalent Al, and two equivalent C atoms. There are a spread of Mg–Mg bond distances ranging from 2.83–3.08 Å. There are one shorter (2.88 Å) and one longer (3.08 Å) Mg–Al bond lengths. Both Mg–C bond lengths are 2.97 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Al atoms to form a mixture of distorted corner and face-sharing MgMg10Al2 cuboctahedra. There are four shorter (3.02 Å) and two longer (3.03 Å) Mg–Mg bond lengths. Both Mg–Al bond lengths are 2.95 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to four Mg and two equivalent Al atoms. Both Mg–Al bond lengths are 3.01 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg atoms. Al is bonded in a distorted q6 geometry to ten Mg atoms. C is bonded in a 10-coordinate geometry to four equivalent Mg atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1023276
- 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; Mg6AlC; Al-C-Mg
- OSTI Identifier:
- 1654446
- DOI:
- https://doi.org/10.17188/1654446
Citation Formats
The Materials Project. Materials Data on Mg6AlC by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1654446.
The Materials Project. Materials Data on Mg6AlC by Materials Project. United States. doi:https://doi.org/10.17188/1654446
The Materials Project. 2017.
"Materials Data on Mg6AlC by Materials Project". United States. doi:https://doi.org/10.17188/1654446. https://www.osti.gov/servlets/purl/1654446. Pub date:Thu Apr 20 00:00:00 EDT 2017
@article{osti_1654446,
title = {Materials Data on Mg6AlC by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6AlC 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 in a 12-coordinate geometry to eight Mg, two equivalent Al, and two equivalent C atoms. There are a spread of Mg–Mg bond distances ranging from 2.83–3.08 Å. There are one shorter (2.88 Å) and one longer (3.08 Å) Mg–Al bond lengths. Both Mg–C bond lengths are 2.97 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Al atoms to form a mixture of distorted corner and face-sharing MgMg10Al2 cuboctahedra. There are four shorter (3.02 Å) and two longer (3.03 Å) Mg–Mg bond lengths. Both Mg–Al bond lengths are 2.95 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to four Mg and two equivalent Al atoms. Both Mg–Al bond lengths are 3.01 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg atoms. Al is bonded in a distorted q6 geometry to ten Mg atoms. C is bonded in a 10-coordinate geometry to four equivalent Mg atoms.},
doi = {10.17188/1654446},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {4}
}