Materials Data on BiPbO2F by Materials Project

doi:10.17188/1656008

Title: Materials Data on BiPbO2F by Materials Project

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Abstract

BiPbO2F crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one BiPbO2F sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.43 Å. Bi3+ is bonded in a 7-coordinate geometry to four O2- and three equivalent F1- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.40 Å. There are a spread of Bi–F bond distances ranging from 2.61–2.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Pb2+ and three equivalent Bi3+ atoms to form distorted OBi3Pb tetrahedra that share corners with six equivalent OBi3Pb tetrahedra and edges with three equivalent OBiPb3 tetrahedra. In the second O2- site, O2- is bonded to three equivalent Pb2+ and one Bi3+ atom to form OBiPb3 tetrahedra that share corners with six equivalent OBiPb3 tetrahedra and edges with three equivalent OBi3Pb tetrahedra. F1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1227424

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; BiPbO2F; Bi-F-O-Pb

OSTI Identifier:: 1656008

DOI:: https://doi.org/10.17188/1656008

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                    The Materials Project. Materials Data on BiPbO2F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1656008.

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                    The Materials Project. Materials Data on BiPbO2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1656008

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                    The Materials Project. 2020.  
"Materials Data on BiPbO2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1656008.  https://www.osti.gov/servlets/purl/1656008. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1656008,

  title        = {Materials Data on BiPbO2F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiPbO2F crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one BiPbO2F sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.43 Å. Bi3+ is bonded in a 7-coordinate geometry to four O2- and three equivalent F1- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.40 Å. There are a spread of Bi–F bond distances ranging from 2.61–2.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Pb2+ and three equivalent Bi3+ atoms to form distorted OBi3Pb tetrahedra that share corners with six equivalent OBi3Pb tetrahedra and edges with three equivalent OBiPb3 tetrahedra. In the second O2- site, O2- is bonded to three equivalent Pb2+ and one Bi3+ atom to form OBiPb3 tetrahedra that share corners with six equivalent OBiPb3 tetrahedra and edges with three equivalent OBi3Pb tetrahedra. F1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.},

  doi          = {10.17188/1656008},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1656008

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