U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ir3S8 by Materials Project
Abstract
Ir3S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ir5+ is bonded to six S+1.88- atoms to form corner-sharing IrS6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of Ir–S bond distances ranging from 2.36–2.41 Å. There are two inequivalent S+1.88- sites. In the first S+1.88- site, S+1.88- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir5+ and one S+1.88- atom. The S–S bond length is 2.15 Å. In the second S+1.88- site, S+1.88- is bonded in a 3-coordinate geometry to three equivalent Ir5+ atoms.
- Publication Date:
- Other Number(s):
- mp-1101826
- 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; Ir-S; Ir3S8; crystal structure
- OSTI Identifier:
- 1685805
- DOI:
- https://doi.org/10.17188/1685805
Citation Formats
Materials Data on Ir3S8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685805.
Materials Data on Ir3S8 by Materials Project. United States. doi:https://doi.org/10.17188/1685805
2020.
"Materials Data on Ir3S8 by Materials Project". United States. doi:https://doi.org/10.17188/1685805. https://www.osti.gov/servlets/purl/1685805. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1685805,
title = {Materials Data on Ir3S8 by Materials Project},
abstractNote = {Ir3S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ir5+ is bonded to six S+1.88- atoms to form corner-sharing IrS6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of Ir–S bond distances ranging from 2.36–2.41 Å. There are two inequivalent S+1.88- sites. In the first S+1.88- site, S+1.88- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir5+ and one S+1.88- atom. The S–S bond length is 2.15 Å. In the second S+1.88- site, S+1.88- is bonded in a 3-coordinate geometry to three equivalent Ir5+ atoms.},
doi = {10.17188/1685805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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