Materials Data on Rb2Be2O3 by Materials Project

doi:10.17188/1290177

Title: Materials Data on Rb2Be2O3 by Materials Project

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Abstract

Rb2Be2O3 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 5-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.87 Å) and two longer (2.98 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.24 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.56 Å) and two longer (1.57 Å) Be–O bond length. In the second Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. All Be–O bond lengths are 1.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two Be2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Rb1+ and two Be2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-755752

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; Rb2Be2O3; Be-O-Rb

OSTI Identifier:: 1290177

DOI:: https://doi.org/10.17188/1290177

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                    The Materials Project. Materials Data on Rb2Be2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290177.

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                    The Materials Project. Materials Data on Rb2Be2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290177

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                    The Materials Project. 2020.  
"Materials Data on Rb2Be2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290177.  https://www.osti.gov/servlets/purl/1290177. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1290177,

  title        = {Materials Data on Rb2Be2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2Be2O3 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 5-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.87 Å) and two longer (2.98 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.24 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.56 Å) and two longer (1.57 Å) Be–O bond length. In the second Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. All Be–O bond lengths are 1.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two Be2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Rb1+ and two Be2+ atoms.},

  doi          = {10.17188/1290177},

  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/10.17188/1290177

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