Materials Data on Mg6AlC by Materials Project
Abstract
Mg6AlC crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two Mg6AlC ribbons oriented in the (0, 0, 1) direction. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a single-bond geometry to one C atom. The Mg–C bond length is 2.48 Å. In the second Mg site, Mg is bonded in an L-shaped geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.54 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Al atoms. Both Mg–Al bond lengths are 2.83 Å. In the fourth Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Al and two equivalent C atoms. Both Mg–Al bond lengths are 2.92 Å. Both Mg–C bond lengths are 2.26 Å. Al is bonded in a 4-coordinate geometry to four Mg atoms. C is bonded in a 8-coordinate geometry to eight Mg atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1023365
- 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:
- 1651425
- DOI:
- https://doi.org/10.17188/1651425
Citation Formats
The Materials Project. Materials Data on Mg6AlC by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651425.
The Materials Project. Materials Data on Mg6AlC by Materials Project. United States. doi:https://doi.org/10.17188/1651425
The Materials Project. 2020.
"Materials Data on Mg6AlC by Materials Project". United States. doi:https://doi.org/10.17188/1651425. https://www.osti.gov/servlets/purl/1651425. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1651425,
title = {Materials Data on Mg6AlC by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6AlC crystallizes in the orthorhombic Amm2 space group. The structure is one-dimensional and consists of two Mg6AlC ribbons oriented in the (0, 0, 1) direction. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a single-bond geometry to one C atom. The Mg–C bond length is 2.48 Å. In the second Mg site, Mg is bonded in an L-shaped geometry to two equivalent C atoms. Both Mg–C bond lengths are 2.54 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Al atoms. Both Mg–Al bond lengths are 2.83 Å. In the fourth Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Al and two equivalent C atoms. Both Mg–Al bond lengths are 2.92 Å. Both Mg–C bond lengths are 2.26 Å. Al is bonded in a 4-coordinate geometry to four Mg atoms. C is bonded in a 8-coordinate geometry to eight Mg atoms.},
doi = {10.17188/1651425},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}