Materials Data on Rb2RuO4 by Materials Project

doi:10.17188/1266636

Title: Materials Data on Rb2RuO4 by Materials Project

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Abstract

Rb2RuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.81–3.52 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.51 Å. Ru6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ru–O bond distances ranging from 1.79–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Ru6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Ru6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Ru6+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-542697

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; Rb2RuO4; O-Rb-Ru

OSTI Identifier:: 1266636

DOI:: https://doi.org/10.17188/1266636

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                    The Materials Project. Materials Data on Rb2RuO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266636.

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                    The Materials Project. Materials Data on Rb2RuO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266636

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                    The Materials Project. 2020.  
"Materials Data on Rb2RuO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266636.  https://www.osti.gov/servlets/purl/1266636. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1266636,

  title        = {Materials Data on Rb2RuO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2RuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.81–3.52 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.51 Å. Ru6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ru–O bond distances ranging from 1.79–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Ru6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Ru6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Ru6+ atom.},

  doi          = {10.17188/1266636},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266636

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