Materials Data on BiB2O4F by Materials Project

doi:10.17188/1270483

Title: Materials Data on BiB2O4F by Materials Project

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Abstract

BiB2O4F crystallizes in the trigonal P3_2 space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.50 Å. In the second B3+ site, B3+ is bonded to three O2- and one F1- atom to form corner-sharing BO3F tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.49 Å. The B–F bond length is 1.46 Å. Bi3+ is bonded in a 9-coordinate geometry to seven O2- and two equivalent F1- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.93 Å. There are one shorter (2.84 Å) and one longer (3.03 Å) Bi–F bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two B3+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two B3+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent B3+ and onemore »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-558753

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; BiB2O4F; B-Bi-F-O

OSTI Identifier:: 1270483

DOI:: https://doi.org/10.17188/1270483

Citation Formats


                    The Materials Project. Materials Data on BiB2O4F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270483.

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                    The Materials Project. Materials Data on BiB2O4F by Materials Project.  United States.  doi:https://doi.org/10.17188/1270483

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                    The Materials Project. 2020.  
"Materials Data on BiB2O4F by Materials Project".  United States.  doi:https://doi.org/10.17188/1270483.  https://www.osti.gov/servlets/purl/1270483. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1270483,

  title        = {Materials Data on BiB2O4F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiB2O4F crystallizes in the trigonal P3_2 space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.50 Å. In the second B3+ site, B3+ is bonded to three O2- and one F1- atom to form corner-sharing BO3F tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.49 Å. The B–F bond length is 1.46 Å. Bi3+ is bonded in a 9-coordinate geometry to seven O2- and two equivalent F1- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.93 Å. There are one shorter (2.84 Å) and one longer (3.03 Å) Bi–F bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two B3+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two B3+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent B3+ and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi3+ atoms. F1- is bonded in a single-bond geometry to one B3+ and two equivalent Bi3+ atoms.},

  doi          = {10.17188/1270483},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270483

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