Materials Data on H24Rh2N8(ClO5)3 by Materials Project
Rh2O3(NH3)8(ClO4)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-two ammonia molecules, twelve ClO4 clusters, and four Rh2O3 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In each Rh2O3 cluster, there are two inequivalent Rh+3.50+ sites. In the first Rh+3.50+ site, Rh+3.50+ is bonded in an L-shaped geometry to two O2- atoms. There is one shorter (1.96 Å) and one longer (2.02 Å) Rh–O bond length. In the second Rh+3.50+ site, Rh+3.50+ is bonded in an L-shaped geometry to two O2- atoms. There is one shorter (1.94 Å) and one longer (2.02 Å) Rh–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Rh+3.50+ and one O2- atom. The O–O bond length is 1.46 Å. In the second O2- site, O2- is bonded in a water-like geometry to one Rh+3.50+ and one O2- atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Rh+3.50+ atoms.
- 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:
- 1654055
- Report Number(s):
- mp-1196799
- Country of Publication:
- United States
- Language:
- English
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