Materials Data on Rh2Au2N10Cl12O by Materials Project
(RhN)2AuCl4Au(NCl2)2(N2)2(NCl)2Cl2O crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of eight ammonia molecules, four chloramine molecules, two chlorine monoxide molecules, two Au(NCl2)2 clusters, two AuCl4 clusters, and four RhN clusters. In each Au(NCl2)2 cluster, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are a spread of Au–Cl bond distances ranging from 2.28–2.86 Å. N+0.20+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.60 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one Au3+ and one N+0.20+ atom. In each AuCl4 cluster, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. All Au–Cl bond lengths are 2.32 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au3+ atom. In each RhN cluster, Rh3+ is bonded in a single-bond geometry to one N+0.20+ atom. The Rh–N bond length is 1.73 Å. N+0.20+ is bonded in a single-bond geometry to one Rh3+ 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:
- 1723557
- Report Number(s):
- mp-1219963
- Country of Publication:
- United States
- Language:
- English
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