Materials Data on Rb2ZrO3 by Materials Project

doi:10.17188/1748582

Title: Materials Data on Rb2ZrO3 by Materials Project

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Abstract

Rb2ZrO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.12 Å. Zr4+ is bonded to five O2- atoms to form distorted edge-sharing ZrO5 trigonal bipyramids. There are a spread of Zr–O bond distances ranging from 1.94–2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Zr4+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1101461

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; Rb2ZrO3; O-Rb-Zr

OSTI Identifier:: 1748582

DOI:: https://doi.org/10.17188/1748582

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                    The Materials Project. Materials Data on Rb2ZrO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748582.

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                    The Materials Project. Materials Data on Rb2ZrO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748582

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                    The Materials Project. 2020.  
"Materials Data on Rb2ZrO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748582.  https://www.osti.gov/servlets/purl/1748582. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1748582,

  title        = {Materials Data on Rb2ZrO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2ZrO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.12 Å. Zr4+ is bonded to five O2- atoms to form distorted edge-sharing ZrO5 trigonal bipyramids. There are a spread of Zr–O bond distances ranging from 1.94–2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Zr4+ atom.},

  doi          = {10.17188/1748582},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1748582

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