U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sn2Mo by Materials Project
Abstract
MoSn2 is Khatyrkite-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Mo and eight Sn atoms. Both Mo–Mo bond lengths are 2.77 Å. There are four shorter (2.88 Å) and four longer (2.92 Å) Mo–Sn bond lengths. In the second Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Mo and eight Sn atoms. There are four shorter (2.87 Å) and four longer (2.92 Å) Mo–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to four Mo and one Sn atom. The Sn–Sn bond length is 2.96 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Mo atoms.
- Publication Date:
- Other Number(s):
- mp-30047
- 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; Mo-Sn; Sn2Mo; crystal structure
- OSTI Identifier:
- 1204476
- DOI:
- https://doi.org/10.17188/1204476
Citation Formats
Materials Data on Sn2Mo by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204476.
Materials Data on Sn2Mo by Materials Project. United States. doi:https://doi.org/10.17188/1204476
2020.
"Materials Data on Sn2Mo by Materials Project". United States. doi:https://doi.org/10.17188/1204476. https://www.osti.gov/servlets/purl/1204476. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1204476,
title = {Materials Data on Sn2Mo by Materials Project},
abstractNote = {MoSn2 is Khatyrkite-like structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Mo and eight Sn atoms. Both Mo–Mo bond lengths are 2.77 Å. There are four shorter (2.88 Å) and four longer (2.92 Å) Mo–Sn bond lengths. In the second Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Mo and eight Sn atoms. There are four shorter (2.87 Å) and four longer (2.92 Å) Mo–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to four Mo and one Sn atom. The Sn–Sn bond length is 2.96 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Mo atoms.},
doi = {10.17188/1204476},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}