U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MoSI by Materials Project
Abstract
MoSI crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo3+ is bonded to three equivalent S2- and three equivalent I1- atoms to form distorted edge-sharing MoS3I3 octahedra. All Mo–S bond lengths are 2.37 Å. All Mo–I bond lengths are 2.96 Å. S2- is bonded in a 12-coordinate geometry to three equivalent Mo3+ atoms. I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1210554
- 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; I-Mo-S; MoSI; crystal structure
- OSTI Identifier:
- 1722094
- DOI:
- https://doi.org/10.17188/1722094
Citation Formats
Materials Data on MoSI by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722094.
Materials Data on MoSI by Materials Project. United States. doi:https://doi.org/10.17188/1722094
2020.
"Materials Data on MoSI by Materials Project". United States. doi:https://doi.org/10.17188/1722094. https://www.osti.gov/servlets/purl/1722094. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1722094,
title = {Materials Data on MoSI by Materials Project},
abstractNote = {MoSI crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo3+ is bonded to three equivalent S2- and three equivalent I1- atoms to form distorted edge-sharing MoS3I3 octahedra. All Mo–S bond lengths are 2.37 Å. All Mo–I bond lengths are 2.96 Å. S2- is bonded in a 12-coordinate geometry to three equivalent Mo3+ atoms. I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo3+ atoms.},
doi = {10.17188/1722094},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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