Materials Data on Na6PbO5 by Materials Project

doi:10.17188/1272396

Title: Materials Data on Na6PbO5 by Materials Project

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Abstract

Na6PbO5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.31 Å) and two longer (2.32 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form NaO4 tetrahedra that share corners with four equivalent PbO5 square pyramids and edges with two equivalent NaO4 tetrahedra. There are two shorter (2.29 Å) and two longer (2.30 Å) Na–O bond lengths. Pb4+ is bonded to five O2- atoms to form PbO5 square pyramids that share corners with eight equivalent NaO4 tetrahedra. There are one shorter (2.18 Å) and four longer (2.21 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and one Pb4+ atom to form a mixture of edge and corner-sharing ONa4Pb trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Na1+ and one Pb4+ atom to form corner-sharing ONa4Pb square pyramids.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-563025

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; Na6PbO5; Na-O-Pb

OSTI Identifier:: 1272396

DOI:: https://doi.org/10.17188/1272396

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                    The Materials Project. Materials Data on Na6PbO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272396.

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                    The Materials Project. Materials Data on Na6PbO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272396

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                    The Materials Project. 2020.  
"Materials Data on Na6PbO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272396.  https://www.osti.gov/servlets/purl/1272396. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1272396,

  title        = {Materials Data on Na6PbO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na6PbO5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.31 Å) and two longer (2.32 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form NaO4 tetrahedra that share corners with four equivalent PbO5 square pyramids and edges with two equivalent NaO4 tetrahedra. There are two shorter (2.29 Å) and two longer (2.30 Å) Na–O bond lengths. Pb4+ is bonded to five O2- atoms to form PbO5 square pyramids that share corners with eight equivalent NaO4 tetrahedra. There are one shorter (2.18 Å) and four longer (2.21 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and one Pb4+ atom to form a mixture of edge and corner-sharing ONa4Pb trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Na1+ and one Pb4+ atom to form corner-sharing ONa4Pb square pyramids.},

  doi          = {10.17188/1272396},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1272396

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