Materials Data on Re3Se4O9 by Materials Project

doi:10.17188/1750978

Title: Materials Data on Re3Se4O9 by Materials Project

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Abstract

Re3Se4O3(O2)3 crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of eighteen hydrogen peroxide molecules and three Re3Se4O3 clusters. In each Re3Se4O3 cluster, Re+6.67+ is bonded in a distorted single-bond geometry to four Se+0.50- and one O2- atom. There are a spread of Re–Se bond distances ranging from 2.52–2.54 Å. The Re–O bond length is 1.70 Å. There are two inequivalent Se+0.50- sites. In the first Se+0.50- site, Se+0.50- is bonded in a 3-coordinate geometry to three equivalent Re+6.67+ atoms. In the second Se+0.50- site, Se+0.50- is bonded in a 3-coordinate geometry to three equivalent Re+6.67+ atoms. O2- is bonded in a single-bond geometry to one Re+6.67+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1201990

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; Re3Se4O9; O-Re-Se

OSTI Identifier:: 1750978

DOI:: https://doi.org/10.17188/1750978

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                    The Materials Project. Materials Data on Re3Se4O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1750978.

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                    The Materials Project. Materials Data on Re3Se4O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1750978

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                    The Materials Project. 2020.  
"Materials Data on Re3Se4O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1750978.  https://www.osti.gov/servlets/purl/1750978. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1750978,

  title        = {Materials Data on Re3Se4O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Re3Se4O3(O2)3 crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of eighteen hydrogen peroxide molecules and three Re3Se4O3 clusters. In each Re3Se4O3 cluster, Re+6.67+ is bonded in a distorted single-bond geometry to four Se+0.50- and one O2- atom. There are a spread of Re–Se bond distances ranging from 2.52–2.54 Å. The Re–O bond length is 1.70 Å. There are two inequivalent Se+0.50- sites. In the first Se+0.50- site, Se+0.50- is bonded in a 3-coordinate geometry to three equivalent Re+6.67+ atoms. In the second Se+0.50- site, Se+0.50- is bonded in a 3-coordinate geometry to three equivalent Re+6.67+ atoms. O2- is bonded in a single-bond geometry to one Re+6.67+ atom.},

  doi          = {10.17188/1750978},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1750978

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