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Title: Materials Data on Rh8C20O19 by Materials Project

Abstract

(Rh)2(RhCO)5RhC2O(CO)13 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twenty-six methanol molecules, four rhodium molecules, two RhC2O clusters, and ten RhCO clusters. In each RhC2O cluster, Rh3+ is bonded in a linear geometry to two C+0.70+ atoms. There is one shorter (1.45 Å) and one longer (1.62 Å) Rh–C bond length. There are two inequivalent C+0.70+ sites. In the first C+0.70+ site, C+0.70+ is bonded in a single-bond geometry to one Rh3+ atom. In the second C+0.70+ site, C+0.70+ is bonded in a linear geometry to one Rh3+ and one O2- atom. The C–O bond length is 0.87 Å. O2- is bonded in a single-bond geometry to one C+0.70+ atom. In each RhCO cluster, Rh3+ is bonded in a distorted single-bond geometry to one C+0.70+ atom. The Rh–C bond length is 1.79 Å. C+0.70+ is bonded in a distorted single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.04 Å. O2- is bonded in a single-bond geometry to one C+0.70+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-683938
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rh8C20O19; C-O-Rh
OSTI Identifier:
1283803
DOI:
10.17188/1283803

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rh8C20O19 by Materials Project. United States: N. p., 2013. Web. doi:10.17188/1283803.
Persson, Kristin, & Project, Materials. Materials Data on Rh8C20O19 by Materials Project. United States. doi:10.17188/1283803.
Persson, Kristin, and Project, Materials. 2013. "Materials Data on Rh8C20O19 by Materials Project". United States. doi:10.17188/1283803. https://www.osti.gov/servlets/purl/1283803. Pub date:Sun Oct 13 00:00:00 EDT 2013
@article{osti_1283803,
title = {Materials Data on Rh8C20O19 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(Rh)2(RhCO)5RhC2O(CO)13 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twenty-six methanol molecules, four rhodium molecules, two RhC2O clusters, and ten RhCO clusters. In each RhC2O cluster, Rh3+ is bonded in a linear geometry to two C+0.70+ atoms. There is one shorter (1.45 Å) and one longer (1.62 Å) Rh–C bond length. There are two inequivalent C+0.70+ sites. In the first C+0.70+ site, C+0.70+ is bonded in a single-bond geometry to one Rh3+ atom. In the second C+0.70+ site, C+0.70+ is bonded in a linear geometry to one Rh3+ and one O2- atom. The C–O bond length is 0.87 Å. O2- is bonded in a single-bond geometry to one C+0.70+ atom. In each RhCO cluster, Rh3+ is bonded in a distorted single-bond geometry to one C+0.70+ atom. The Rh–C bond length is 1.79 Å. C+0.70+ is bonded in a distorted single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.04 Å. O2- is bonded in a single-bond geometry to one C+0.70+ atom.},
doi = {10.17188/1283803},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2013},
month = {10}
}

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