U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2Nb by Materials Project
Abstract
NbMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb and twelve Mn atoms. There are three shorter (2.95 Å) and one longer (2.97 Å) Nb–Nb bond lengths. There are a spread of Nb–Mn bond distances ranging from 2.81–2.83 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nb and six Mn atoms to form a mixture of corner, edge, and face-sharing MnMn6Nb6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.34–2.48 Å. In the second Mn site, Mn is bonded to six equivalent Nb and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnMn6Nb6 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-12659
- 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-Nb; Mn2Nb; crystal structure
- OSTI Identifier:
- 1182420
- DOI:
- https://doi.org/10.17188/1182420
Citation Formats
Materials Data on Mn2Nb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1182420.
Materials Data on Mn2Nb by Materials Project. United States. doi:https://doi.org/10.17188/1182420
2020.
"Materials Data on Mn2Nb by Materials Project". United States. doi:https://doi.org/10.17188/1182420. https://www.osti.gov/servlets/purl/1182420. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1182420,
title = {Materials Data on Mn2Nb by Materials Project},
abstractNote = {NbMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb and twelve Mn atoms. There are three shorter (2.95 Å) and one longer (2.97 Å) Nb–Nb bond lengths. There are a spread of Nb–Mn bond distances ranging from 2.81–2.83 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nb and six Mn atoms to form a mixture of corner, edge, and face-sharing MnMn6Nb6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.34–2.48 Å. In the second Mn site, Mn is bonded to six equivalent Nb and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnMn6Nb6 cuboctahedra.},
doi = {10.17188/1182420},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}