Materials Data on Ir2Os(NCl)10 by Materials Project
OsCl6(IrN3Cl2)2(N2)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hexachloroosmium molecules, four nitrogen molecules, and four IrN3Cl2 clusters. In each IrN3Cl2 cluster, Ir4+ is bonded in a tetrahedral geometry to three N+0.60- and one Cl1- atom. There is two shorter (1.73 Å) and one longer (2.00 Å) Ir–N bond length. The Ir–Cl bond length is 2.27 Å. There are two inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a bent 120 degrees geometry to one Ir4+ and one Cl1- atom. The N–Cl bond length is 1.67 Å. In the second N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N+0.60- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir4+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1757083
- Report Number(s):
- mp-1191519
- Country of Publication:
- United States
- Language:
- English
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