Materials Data on Bi3O4F by Materials Project

doi:10.17188/1722715

Title: Materials Data on Bi3O4F by Materials Project

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Abstract

Bi3O4F crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a rectangular see-saw-like geometry to three O2- and one F1- atom. There are a spread of Bi–O bond distances ranging from 2.12–2.21 Å. The Bi–F bond length is 2.50 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. F1- is bonded in a linear geometry to two equivalent Bi3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1178488

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; Bi3O4F; Bi-F-O

OSTI Identifier:: 1722715

DOI:: https://doi.org/10.17188/1722715

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                    The Materials Project. Materials Data on Bi3O4F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722715.

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                    The Materials Project. Materials Data on Bi3O4F by Materials Project.  United States.  doi:https://doi.org/10.17188/1722715

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                    The Materials Project. 2020.  
"Materials Data on Bi3O4F by Materials Project".  United States.  doi:https://doi.org/10.17188/1722715.  https://www.osti.gov/servlets/purl/1722715. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1722715,

  title        = {Materials Data on Bi3O4F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi3O4F crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a rectangular see-saw-like geometry to three O2- and one F1- atom. There are a spread of Bi–O bond distances ranging from 2.12–2.21 Å. The Bi–F bond length is 2.50 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. F1- is bonded in a linear geometry to two equivalent Bi3+ atoms.},

  doi          = {10.17188/1722715},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722715

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