Materials Data on Cs2RuO4 by Materials Project

doi:10.17188/1192563

Title: Materials Data on Cs2RuO4 by Materials Project

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Abstract

Cs2RuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.69 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.10–3.62 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 Cs1+ and one Ru6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Ru6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one Ru6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-17546

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; Cs2RuO4; Cs-O-Ru

OSTI Identifier:: 1192563

DOI:: https://doi.org/10.17188/1192563

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                    The Materials Project. Materials Data on Cs2RuO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192563.

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                    The Materials Project. Materials Data on Cs2RuO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192563

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                    The Materials Project. 2020.  
"Materials Data on Cs2RuO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192563.  https://www.osti.gov/servlets/purl/1192563. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1192563,

  title        = {Materials Data on Cs2RuO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2RuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.69 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.10–3.62 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 Cs1+ and one Ru6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Ru6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one Ru6+ atom.},

  doi          = {10.17188/1192563},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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