Materials Data on Rb3BiO3 by Materials Project

doi:10.17188/1203991

Title: Materials Data on Rb3BiO3 by Materials Project

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Abstract

Rb3BiO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.94 Å) and three longer (3.17 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.95 Å) and three longer (3.13 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Rb–O bond lengths are 2.78 Å. Bi3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.10 Å. O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Bi3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-29525

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; Rb3BiO3; Bi-O-Rb

OSTI Identifier:: 1203991

DOI:: https://doi.org/10.17188/1203991

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                    The Materials Project. Materials Data on Rb3BiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203991.

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                    The Materials Project. Materials Data on Rb3BiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203991

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                    The Materials Project. 2020.  
"Materials Data on Rb3BiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203991.  https://www.osti.gov/servlets/purl/1203991. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1203991,

  title        = {Materials Data on Rb3BiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3BiO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.94 Å) and three longer (3.17 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.95 Å) and three longer (3.13 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Rb–O bond lengths are 2.78 Å. Bi3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.10 Å. O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Bi3+ atom.},

  doi          = {10.17188/1203991},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203991

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