U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmMn2 by Materials Project
Abstract
SmMn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Sm and twelve Mn atoms. There are one shorter (3.11 Å) and three longer (3.35 Å) Sm–Sm bond lengths. There are a spread of Sm–Mn bond distances ranging from 2.98–3.24 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra. There are two shorter (2.64 Å) and four longer (2.74 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.57–2.85 Å. In the third Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1102799
- 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; Mn-Sm; SmMn2; crystal structure
- OSTI Identifier:
- 1708646
- DOI:
- https://doi.org/10.17188/1708646
Citation Formats
Materials Data on SmMn2 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1708646.
Materials Data on SmMn2 by Materials Project. United States. doi:https://doi.org/10.17188/1708646
2018.
"Materials Data on SmMn2 by Materials Project". United States. doi:https://doi.org/10.17188/1708646. https://www.osti.gov/servlets/purl/1708646. Pub date:Wed Jul 18 04:00:00 UTC 2018
@article{osti_1708646,
title = {Materials Data on SmMn2 by Materials Project},
abstractNote = {SmMn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Sm and twelve Mn atoms. There are one shorter (3.11 Å) and three longer (3.35 Å) Sm–Sm bond lengths. There are a spread of Sm–Mn bond distances ranging from 2.98–3.24 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra. There are two shorter (2.64 Å) and four longer (2.74 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.57–2.85 Å. In the third Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra.},
doi = {10.17188/1708646},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}