Materials Data on Na15Pb4 by Materials Project

doi:10.17188/1197234

Title: Materials Data on Na15Pb4 by Materials Project

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Abstract

Na15Pb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight equivalent Na and four equivalent Pb atoms to form distorted NaNa8Pb4 cuboctahedra that share corners with eight equivalent PbNa12 cuboctahedra, edges with eight equivalent NaNa8Pb4 cuboctahedra, and faces with four equivalent PbNa12 cuboctahedra. There are four shorter (3.43 Å) and four longer (3.50 Å) Na–Na bond lengths. All Na–Pb bond lengths are 3.60 Å. In the second Na site, Na is bonded in a 3-coordinate geometry to two equivalent Na and three equivalent Pb atoms. There are a spread of Na–Pb bond distances ranging from 3.28–3.56 Å. Pb is bonded to twelve Na atoms to form distorted PbNa12 cuboctahedra that share corners with six equivalent NaNa8Pb4 cuboctahedra, edges with six equivalent PbNa12 cuboctahedra, faces with three equivalent NaNa8Pb4 cuboctahedra, and faces with five equivalent PbNa12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-21895

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; Na15Pb4; Na-Pb

OSTI Identifier:: 1197234

DOI:: https://doi.org/10.17188/1197234

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                    The Materials Project. Materials Data on Na15Pb4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197234.

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                    The Materials Project. Materials Data on Na15Pb4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197234

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                    The Materials Project. 2020.  
"Materials Data on Na15Pb4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197234.  https://www.osti.gov/servlets/purl/1197234. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1197234,

  title        = {Materials Data on Na15Pb4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na15Pb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight equivalent Na and four equivalent Pb atoms to form distorted NaNa8Pb4 cuboctahedra that share corners with eight equivalent PbNa12 cuboctahedra, edges with eight equivalent NaNa8Pb4 cuboctahedra, and faces with four equivalent PbNa12 cuboctahedra. There are four shorter (3.43 Å) and four longer (3.50 Å) Na–Na bond lengths. All Na–Pb bond lengths are 3.60 Å. In the second Na site, Na is bonded in a 3-coordinate geometry to two equivalent Na and three equivalent Pb atoms. There are a spread of Na–Pb bond distances ranging from 3.28–3.56 Å. Pb is bonded to twelve Na atoms to form distorted PbNa12 cuboctahedra that share corners with six equivalent NaNa8Pb4 cuboctahedra, edges with six equivalent PbNa12 cuboctahedra, faces with three equivalent NaNa8Pb4 cuboctahedra, and faces with five equivalent PbNa12 cuboctahedra.},

  doi          = {10.17188/1197234},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197234

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