U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScMn2 by Materials Project
Abstract
Mn2Sc is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve Mn atoms. There are three shorter (3.00 Å) and one longer (3.01 Å) Sc–Sc bond lengths. All Sc–Mn bond lengths are 2.87 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Sc and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.48 Å. In the second Mn site, Mn is bonded to six equivalent Sc and six Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. There are two shorter (2.38 Å) and two longer (2.51 Å) Mn–Mn bond lengths.
- Publication Date:
- Other Number(s):
- mp-2039
- 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; Mn-Sc; ScMn2
- OSTI Identifier:
- 1195519
- DOI:
- https://doi.org/10.17188/1195519
Citation Formats
Materials Data on ScMn2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1195519.
Materials Data on ScMn2 by Materials Project. United States. doi:https://doi.org/10.17188/1195519
2017.
"Materials Data on ScMn2 by Materials Project". United States. doi:https://doi.org/10.17188/1195519. https://www.osti.gov/servlets/purl/1195519. Pub date:Tue May 09 20:00:00 EDT 2017
@article{osti_1195519,
title = {Materials Data on ScMn2 by Materials Project},
abstractNote = {Mn2Sc is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve Mn atoms. There are three shorter (3.00 Å) and one longer (3.01 Å) Sc–Sc bond lengths. All Sc–Mn bond lengths are 2.87 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Sc and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.48 Å. In the second Mn site, Mn is bonded to six equivalent Sc and six Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. There are two shorter (2.38 Å) and two longer (2.51 Å) Mn–Mn bond lengths.},
doi = {10.17188/1195519},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}