Materials Data on Bi2PbF8 by Materials Project

doi:10.17188/1672371

Title: Materials Data on Bi2PbF8 by Materials Project

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Abstract

PbBi2F8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pb2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Pb–F bond lengths are 2.60 Å. Bi3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Bi–F bond distances ranging from 2.26–2.62 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Pb2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing FBi2Pb2 tetrahedra. In the second F1- site, F1- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing FBi4 tetrahedra. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi3+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1229287

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; Bi2PbF8; Bi-F-Pb

OSTI Identifier:: 1672371

DOI:: https://doi.org/10.17188/1672371

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                    The Materials Project. Materials Data on Bi2PbF8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672371.

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                    The Materials Project. Materials Data on Bi2PbF8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672371

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                    The Materials Project. 2020.  
"Materials Data on Bi2PbF8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672371.  https://www.osti.gov/servlets/purl/1672371. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1672371,

  title        = {Materials Data on Bi2PbF8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PbBi2F8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pb2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Pb–F bond lengths are 2.60 Å. Bi3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Bi–F bond distances ranging from 2.26–2.62 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Pb2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing FBi2Pb2 tetrahedra. In the second F1- site, F1- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing FBi4 tetrahedra. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi3+ atom.},

  doi          = {10.17188/1672371},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1672371

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