Materials Data on RhC2ClO2 by Materials Project
RhC2O2Cl is Theoretical Carbon Structure structured and crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of eight RhC2O2Cl clusters. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded in a distorted rectangular see-saw-like geometry to two C1+ and two Cl1- atoms. There is one shorter (1.84 Å) and one longer (1.85 Å) Rh–C bond length. There are one shorter (2.41 Å) and one longer (2.44 Å) Rh–Cl bond lengths. In the second Rh3+ site, Rh3+ is bonded in a distorted rectangular see-saw-like geometry to two C1+ and two Cl1- atoms. There is one shorter (1.84 Å) and one longer (1.85 Å) Rh–C bond length. There are one shorter (2.41 Å) and one longer (2.44 Å) Rh–Cl bond lengths. There are four inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C1+ site, C1+ is bonded in a distorted single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C1+ site, C1+ is bonded in a distorted single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Rh3+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Rh3+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1271045
- Report Number(s):
- mp-559788
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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