Materials Data on Rb3NaPbO4 by Materials Project

doi:10.17188/1267966

Title: Materials Data on Rb3NaPbO4 by Materials Project

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Abstract

Rb3NaPbO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.77–3.21 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.14 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.32 Å. Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share corners with four equivalent PbO4 tetrahedra and an edgeedge with one NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.30–2.40 Å. Pb4+ is bonded to four O2- atoms to form PbO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra. There are three shorter (2.11 Å) and one longer (2.12 Å) Pb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five Rb1+ and one Pb4+ atom to form a mixture of edgemore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-554584

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; Rb3NaPbO4; Na-O-Pb-Rb

OSTI Identifier:: 1267966

DOI:: https://doi.org/10.17188/1267966

Citation Formats


                    The Materials Project. Materials Data on Rb3NaPbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267966.

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                    The Materials Project. Materials Data on Rb3NaPbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267966

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                    The Materials Project. 2020.  
"Materials Data on Rb3NaPbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267966.  https://www.osti.gov/servlets/purl/1267966. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1267966,

  title        = {Materials Data on Rb3NaPbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3NaPbO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.77–3.21 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.14 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.32 Å. Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share corners with four equivalent PbO4 tetrahedra and an edgeedge with one NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.30–2.40 Å. Pb4+ is bonded to four O2- atoms to form PbO4 tetrahedra that share corners with four equivalent NaO4 tetrahedra. There are three shorter (2.11 Å) and one longer (2.12 Å) Pb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to five Rb1+ and one Pb4+ atom to form a mixture of edge and corner-sharing ORb5Pb octahedra. The corner-sharing octahedra tilt angles range from 18–71°. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Rb1+, two equivalent Na1+, and one Pb4+ atom. In the third O2- site, O2- is bonded to four Rb1+, one Na1+, and one Pb4+ atom to form a mixture of distorted edge and corner-sharing ORb4NaPb octahedra. The corner-sharing octahedra tilt angles range from 18–71°. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+, one Na1+, and one Pb4+ atom.},

  doi          = {10.17188/1267966},

  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/10.17188/1267966

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