Materials Data on Rb3PbO3 by Materials Project

doi:10.17188/1272736

Title: Materials Data on Rb3PbO3 by Materials Project

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Abstract

Rb3PbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 1-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.20 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.41 Å. In the third Rb site, Rb is bonded in a 4-coordinate geometry to four equivalent O atoms. There are two shorter (2.97 Å) and two longer (3.24 Å) Rb–O bond lengths. Pb is bonded to four O atoms to form distorted edge-sharing PbO4 tetrahedra. There are a spread of Pb–O bond distances ranging from 2.19–2.34 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to three Rb and two equivalent Pb atoms. In the second O site, O is bonded to six Rb and one Pb atom to form a mixture of distorted corner, edge, and face-sharing ORb6Pb pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-756795

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; Rb3PbO3; O-Pb-Rb

OSTI Identifier:: 1272736

DOI:: https://doi.org/10.17188/1272736

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                    The Materials Project. Materials Data on Rb3PbO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272736.

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                    The Materials Project. Materials Data on Rb3PbO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272736

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                    The Materials Project. 2020.  
"Materials Data on Rb3PbO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272736.  https://www.osti.gov/servlets/purl/1272736. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1272736,

  title        = {Materials Data on Rb3PbO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3PbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 1-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.20 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.41 Å. In the third Rb site, Rb is bonded in a 4-coordinate geometry to four equivalent O atoms. There are two shorter (2.97 Å) and two longer (3.24 Å) Rb–O bond lengths. Pb is bonded to four O atoms to form distorted edge-sharing PbO4 tetrahedra. There are a spread of Pb–O bond distances ranging from 2.19–2.34 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to three Rb and two equivalent Pb atoms. In the second O site, O is bonded to six Rb and one Pb atom to form a mixture of distorted corner, edge, and face-sharing ORb6Pb pentagonal bipyramids.},

  doi          = {10.17188/1272736},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1272736

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