Materials Data on Ba5Pb3 by Materials Project

doi:10.17188/1278091

Title: Materials Data on Ba5Pb3 by Materials Project

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Abstract

Ba5Pb3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to five Pb atoms to form a mixture of distorted face, edge, and corner-sharing BaPb5 trigonal bipyramids. There are a spread of Ba–Pb bond distances ranging from 3.65–3.88 Å. In the second Ba site, Ba is bonded in a square co-planar geometry to four equivalent Pb atoms. All Ba–Pb bond lengths are 3.66 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Ba and one Pb atom. The Pb–Pb bond length is 3.11 Å. In the second Pb site, Pb is bonded in a 8-coordinate geometry to eight equivalent Ba atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-622106

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; Ba5Pb3; Ba-Pb

OSTI Identifier:: 1278091

DOI:: https://doi.org/10.17188/1278091

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                    The Materials Project. Materials Data on Ba5Pb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278091.

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                    The Materials Project. Materials Data on Ba5Pb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278091

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                    The Materials Project. 2020.  
"Materials Data on Ba5Pb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278091.  https://www.osti.gov/servlets/purl/1278091. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1278091,

  title        = {Materials Data on Ba5Pb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba5Pb3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to five Pb atoms to form a mixture of distorted face, edge, and corner-sharing BaPb5 trigonal bipyramids. There are a spread of Ba–Pb bond distances ranging from 3.65–3.88 Å. In the second Ba site, Ba is bonded in a square co-planar geometry to four equivalent Pb atoms. All Ba–Pb bond lengths are 3.66 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 9-coordinate geometry to eight Ba and one Pb atom. The Pb–Pb bond length is 3.11 Å. In the second Pb site, Pb is bonded in a 8-coordinate geometry to eight equivalent Ba atoms.},

  doi          = {10.17188/1278091},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1278091

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