U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn3Ni4Sn by Materials Project
Abstract
Mn3Ni4Sn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 8-coordinate geometry to eight Ni and three equivalent Sn atoms. There are a spread of Mn–Ni bond distances ranging from 2.47–2.78 Å. All Mn–Sn bond lengths are 3.00 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight Ni atoms. There are two shorter (2.48 Å) and six longer (2.54 Å) Mn–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to five Mn and three equivalent Sn atoms. All Ni–Sn bond lengths are 2.61 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to seven Mn and one Sn atom. The Ni–Sn bond length is 2.69 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Mn and eight Ni atoms.
- Publication Date:
- Other Number(s):
- mp-1221827
- 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-Ni-Sn; Mn3Ni4Sn; crystal structure
- OSTI Identifier:
- 1685274
- DOI:
- https://doi.org/10.17188/1685274
Citation Formats
Materials Data on Mn3Ni4Sn by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685274.
Materials Data on Mn3Ni4Sn by Materials Project. United States. doi:https://doi.org/10.17188/1685274
2020.
"Materials Data on Mn3Ni4Sn by Materials Project". United States. doi:https://doi.org/10.17188/1685274. https://www.osti.gov/servlets/purl/1685274. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1685274,
title = {Materials Data on Mn3Ni4Sn by Materials Project},
abstractNote = {Mn3Ni4Sn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 8-coordinate geometry to eight Ni and three equivalent Sn atoms. There are a spread of Mn–Ni bond distances ranging from 2.47–2.78 Å. All Mn–Sn bond lengths are 3.00 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight Ni atoms. There are two shorter (2.48 Å) and six longer (2.54 Å) Mn–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to five Mn and three equivalent Sn atoms. All Ni–Sn bond lengths are 2.61 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to seven Mn and one Sn atom. The Ni–Sn bond length is 2.69 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Mn and eight Ni atoms.},
doi = {10.17188/1685274},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}