Materials Data on Ru3C9Se2O9 by Materials Project

doi:10.17188/1711628

Title: Materials Data on Ru3C9Se2O9 by Materials Project

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Abstract

Ru3Se2(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eighteen formaldehyde molecules and two Ru3Se2 clusters. In each Ru3Se2 cluster, there are three inequivalent Ru+3.33+ sites. In the first Ru+3.33+ site, Ru+3.33+ is bonded in a 5-coordinate geometry to two Se2- atoms. There are one shorter (2.55 Å) and one longer (2.56 Å) Ru–Se bond lengths. In the second Ru+3.33+ site, Ru+3.33+ is bonded in a 5-coordinate geometry to two Se2- atoms. There are one shorter (2.52 Å) and one longer (2.53 Å) Ru–Se bond lengths. In the third Ru+3.33+ site, Ru+3.33+ is bonded in a 5-coordinate geometry to two Se2- atoms. There are one shorter (2.51 Å) and one longer (2.53 Å) Ru–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three Ru+3.33+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ru+3.33+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1203202

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; Ru3C9Se2O9; C-O-Ru-Se

OSTI Identifier:: 1711628

DOI:: https://doi.org/10.17188/1711628

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                    The Materials Project. Materials Data on Ru3C9Se2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711628.

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                    The Materials Project. Materials Data on Ru3C9Se2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711628

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                    The Materials Project. 2020.  
"Materials Data on Ru3C9Se2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711628.  https://www.osti.gov/servlets/purl/1711628. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1711628,

  title        = {Materials Data on Ru3C9Se2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ru3Se2(CO)9 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eighteen formaldehyde molecules and two Ru3Se2 clusters. In each Ru3Se2 cluster, there are three inequivalent Ru+3.33+ sites. In the first Ru+3.33+ site, Ru+3.33+ is bonded in a 5-coordinate geometry to two Se2- atoms. There are one shorter (2.55 Å) and one longer (2.56 Å) Ru–Se bond lengths. In the second Ru+3.33+ site, Ru+3.33+ is bonded in a 5-coordinate geometry to two Se2- atoms. There are one shorter (2.52 Å) and one longer (2.53 Å) Ru–Se bond lengths. In the third Ru+3.33+ site, Ru+3.33+ is bonded in a 5-coordinate geometry to two Se2- atoms. There are one shorter (2.51 Å) and one longer (2.53 Å) Ru–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three Ru+3.33+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Ru+3.33+ atoms.},

  doi          = {10.17188/1711628},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1711628

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