U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc(MnAl2)4 by Materials Project
Abstract
Sc(MnAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a 4-coordinate geometry to twelve Al atoms. There are four shorter (2.87 Å) and eight longer (3.22 Å) Sc–Al bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent Mn and eight Al atoms. Both Mn–Mn bond lengths are 2.58 Å. There are four shorter (2.53 Å) and four longer (2.62 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Sc, four equivalent Mn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.92 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Sc, four equivalent Mn, and six Al atoms. Both Al–Al bond lengths are 2.73 Å.
- Publication Date:
- Other Number(s):
- mp-31081
- 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; Al-Mn-Sc; Sc(MnAl2)4; crystal structure
- OSTI Identifier:
- 1205408
- DOI:
- https://doi.org/10.17188/1205408
Citation Formats
Materials Data on Sc(MnAl2)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205408.
Materials Data on Sc(MnAl2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1205408
2020.
"Materials Data on Sc(MnAl2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1205408. https://www.osti.gov/servlets/purl/1205408. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205408,
title = {Materials Data on Sc(MnAl2)4 by Materials Project},
abstractNote = {Sc(MnAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded in a 4-coordinate geometry to twelve Al atoms. There are four shorter (2.87 Å) and eight longer (3.22 Å) Sc–Al bond lengths. Mn is bonded in a 12-coordinate geometry to two equivalent Mn and eight Al atoms. Both Mn–Mn bond lengths are 2.58 Å. There are four shorter (2.53 Å) and four longer (2.62 Å) Mn–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Sc, four equivalent Mn, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.92 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Sc, four equivalent Mn, and six Al atoms. Both Al–Al bond lengths are 2.73 Å.},
doi = {10.17188/1205408},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}