U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaMg12 by Materials Project
Abstract
LaMg12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent La atoms to form a mixture of distorted edge, face, and corner-sharing MgLa2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.97–3.17 Å. Both Mg–La bond lengths are 3.95 Å. In the second Mg site, Mg is bonded in a distorted q6 geometry to ten Mg and two equivalent La atoms. There are a spread of Mg–Mg bond distances ranging from 3.20–3.30 Å. Both Mg–La bond lengths are 3.73 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one La atom. The Mg–Mg bond length is 3.05 Å. The Mg–La bond length is 3.65 Å. La is bonded in a 12-coordinate geometry to twenty Mg atoms.
- Publication Date:
- Other Number(s):
- mp-1104815
- 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; crystal structure; La-Mg; LaMg12
- OSTI Identifier:
- 1719628
- DOI:
- https://doi.org/10.17188/1719628
Citation Formats
Materials Data on LaMg12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719628.
Materials Data on LaMg12 by Materials Project. United States. doi:https://doi.org/10.17188/1719628
2020.
"Materials Data on LaMg12 by Materials Project". United States. doi:https://doi.org/10.17188/1719628. https://www.osti.gov/servlets/purl/1719628. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1719628,
title = {Materials Data on LaMg12 by Materials Project},
abstractNote = {LaMg12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent La atoms to form a mixture of distorted edge, face, and corner-sharing MgLa2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.97–3.17 Å. Both Mg–La bond lengths are 3.95 Å. In the second Mg site, Mg is bonded in a distorted q6 geometry to ten Mg and two equivalent La atoms. There are a spread of Mg–Mg bond distances ranging from 3.20–3.30 Å. Both Mg–La bond lengths are 3.73 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to nine Mg and one La atom. The Mg–Mg bond length is 3.05 Å. The Mg–La bond length is 3.65 Å. La is bonded in a 12-coordinate geometry to twenty Mg atoms.},
doi = {10.17188/1719628},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}