Materials Data on Rh8C20O19 by Materials Project

doi:10.17188/1283803

Title: Materials Data on Rh8C20O19 by Materials Project

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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:: The Materials Project

Publication Date:: 2013-10-13

Other Number(s):: mp-683938

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Rh8C20O19; C-O-Rh

OSTI Identifier:: 1283803

DOI:: https://doi.org/10.17188/1283803

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                    The Materials Project. Materials Data on Rh8C20O19 by Materials Project.  United States: N. p., 2013. 
        Web.  doi:10.17188/1283803.

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                    The Materials Project. Materials Data on Rh8C20O19 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283803

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                    The Materials Project. 2013.  
"Materials Data on Rh8C20O19 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283803.  https://www.osti.gov/servlets/purl/1283803. Pub date:Sun Oct 13 00:00:00 EDT 2013

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@article{osti_1283803,

  title        = {Materials Data on Rh8C20O19 by Materials Project},

  author       = {The Materials Project},

  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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DOI: https://doi.org/10.17188/1283803

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