Materials Data on Na6PbO4 by Materials Project

doi:10.17188/1201823

Title: Materials Data on Na6PbO4 by Materials Project

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Abstract

Na6PbO4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share a cornercorner with one PbO4 tetrahedra, corners with twelve NaO4 tetrahedra, an edgeedge with one PbO4 tetrahedra, and edges with five equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.28–2.48 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with three equivalent PbO4 tetrahedra, corners with twelve NaO4 tetrahedra, and edges with five equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.45–2.63 Å. Pb2+ is bonded to four O2- atoms to form distorted PbO4 tetrahedra that share corners with three equivalent PbO4 tetrahedra, corners with twelve NaO4 tetrahedra, and edges with three equivalent NaO4 tetrahedra. There are three shorter (2.39 Å) and one longer (2.48 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pb2+ atoms to form corner-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded tomore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-27623

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; Na6PbO4; Na-O-Pb

OSTI Identifier:: 1201823

DOI:: https://doi.org/10.17188/1201823

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                    The Materials Project. Materials Data on Na6PbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201823.

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                    The Materials Project. Materials Data on Na6PbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201823

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                    The Materials Project. 2020.  
"Materials Data on Na6PbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201823.  https://www.osti.gov/servlets/purl/1201823. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1201823,

  title        = {Materials Data on Na6PbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na6PbO4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share a cornercorner with one PbO4 tetrahedra, corners with twelve NaO4 tetrahedra, an edgeedge with one PbO4 tetrahedra, and edges with five equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.28–2.48 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share corners with three equivalent PbO4 tetrahedra, corners with twelve NaO4 tetrahedra, and edges with five equivalent NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.45–2.63 Å. Pb2+ is bonded to four O2- atoms to form distorted PbO4 tetrahedra that share corners with three equivalent PbO4 tetrahedra, corners with twelve NaO4 tetrahedra, and edges with three equivalent NaO4 tetrahedra. There are three shorter (2.39 Å) and one longer (2.48 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pb2+ atoms to form corner-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded to six Na1+ and one Pb2+ atom to form distorted ONa6Pb pentagonal bipyramids that share corners with two equivalent ONa6Pb pentagonal bipyramids, a cornercorner with one OPb4 tetrahedra, and edges with six equivalent ONa6Pb pentagonal bipyramids. In the third O2- site, O2- is bonded in a distorted body-centered cubic geometry to eight Na1+ atoms.},

  doi          = {10.17188/1201823},

  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/10.17188/1201823

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