Materials Data on BiOF3 by Materials Project

doi:10.17188/1289030

Title: Materials Data on BiOF3 by Materials Project

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Abstract

BiOF3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Bi5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Bi–F bond distances ranging from 2.19–2.48 Å. O2- is bonded in a distorted linear geometry to one O2- and one F1- atom. The O–O bond length is 1.24 Å. The O–F bond length is 2.82 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Bi5+ atoms. In the second F1- site, F1- is bonded in a water-like geometry to two equivalent Bi5+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Bi5+ and one O2- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-753455

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; BiOF3; Bi-F-O

OSTI Identifier:: 1289030

DOI:: https://doi.org/10.17188/1289030

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                    The Materials Project. Materials Data on BiOF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289030.

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                    The Materials Project. Materials Data on BiOF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289030

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                    The Materials Project. 2020.  
"Materials Data on BiOF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289030.  https://www.osti.gov/servlets/purl/1289030. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1289030,

  title        = {Materials Data on BiOF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiOF3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Bi5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Bi–F bond distances ranging from 2.19–2.48 Å. O2- is bonded in a distorted linear geometry to one O2- and one F1- atom. The O–O bond length is 1.24 Å. The O–F bond length is 2.82 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Bi5+ atoms. In the second F1- site, F1- is bonded in a water-like geometry to two equivalent Bi5+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Bi5+ and one O2- atom.},

  doi          = {10.17188/1289030},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1289030

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