U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ir2Os(NCl)10 by Materials Project
Abstract
OsCl6(IrN5Cl2)2 is beta Sn-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hexachloroosmium molecules and four IrN5Cl2 clusters. In each IrN5Cl2 cluster, Ir4+ is bonded in a 3-coordinate geometry to five N+0.60- and one Cl1- atom. There are a spread of Ir–N bond distances ranging from 1.76–2.37 Å. The Ir–Cl bond length is 2.48 Å. There are three inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir4+ atom. In the second N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir4+ atom. In the third N+0.60- site, N+0.60- is bonded in a distorted L-shaped geometry to one Ir4+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent N+0.60- atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ir4+ atom.
- Publication Date:
- Other Number(s):
- mp-1192349
- 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; Cl-Ir-N-Os; Ir2Os(NCl)10; crystal structure
- OSTI Identifier:
- 1699697
- DOI:
- https://doi.org/10.17188/1699697
Citation Formats
Materials Data on Ir2Os(NCl)10 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1699697.
Materials Data on Ir2Os(NCl)10 by Materials Project. United States. doi:https://doi.org/10.17188/1699697
2019.
"Materials Data on Ir2Os(NCl)10 by Materials Project". United States. doi:https://doi.org/10.17188/1699697. https://www.osti.gov/servlets/purl/1699697. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1699697,
title = {Materials Data on Ir2Os(NCl)10 by Materials Project},
abstractNote = {OsCl6(IrN5Cl2)2 is beta Sn-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hexachloroosmium molecules and four IrN5Cl2 clusters. In each IrN5Cl2 cluster, Ir4+ is bonded in a 3-coordinate geometry to five N+0.60- and one Cl1- atom. There are a spread of Ir–N bond distances ranging from 1.76–2.37 Å. The Ir–Cl bond length is 2.48 Å. There are three inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir4+ atom. In the second N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir4+ atom. In the third N+0.60- site, N+0.60- is bonded in a distorted L-shaped geometry to one Ir4+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent N+0.60- atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ir4+ atom.},
doi = {10.17188/1699697},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}