Materials Data on Fe4Bi2O9 by Materials Project

doi:10.17188/1734241

Title: Materials Data on Fe4Bi2O9 by Materials Project

Abstract

Bi2Fe4O9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four FeO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.00–2.07 Å. In the second Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent FeO6 octahedra and a cornercorner with one FeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Fe–O bond distances ranging from 1.86–1.94 Å. In the third Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent FeO6 octahedra and a cornercorner with one FeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Fe–O bond distances ranging from 1.87–1.93 Å. Bi3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–3.07 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded inmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1196085

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; Fe4Bi2O9; Bi-Fe-O

OSTI Identifier:: 1734241

DOI:: https://doi.org/10.17188/1734241

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                    The Materials Project. Materials Data on Fe4Bi2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734241.

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                    The Materials Project. Materials Data on Fe4Bi2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734241

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                    The Materials Project. 2020.  
"Materials Data on Fe4Bi2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734241.  https://www.osti.gov/servlets/purl/1734241. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1734241,

  title        = {Materials Data on Fe4Bi2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi2Fe4O9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four FeO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.00–2.07 Å. In the second Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent FeO6 octahedra and a cornercorner with one FeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–58°. There are a spread of Fe–O bond distances ranging from 1.86–1.94 Å. In the third Fe3+ site, Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent FeO6 octahedra and a cornercorner with one FeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Fe–O bond distances ranging from 1.87–1.93 Å. Bi3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–3.07 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Fe3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Fe3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Fe3+ and two equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Fe3+ and two equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two equivalent Bi3+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two Fe3+ atoms.},

  doi          = {10.17188/1734241},

  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/10.17188/1734241

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Works referenced in this record:

Synthesis and photocatalytic performance of the electrospun Bi2Fe4O9 nanofibers
journal, February 2013

Qi, Shishun; Zuo, Ruzhong; Wang, Yu
Journal of Materials Science, Vol. 48, Issue 11
https://doi.org/10.1007/s10853-013-7227-7

Optimizing phase and microstructure of chemical solution-deposited bismuth ferrite (BiFeO3) thin films to reduce DC leakage
journal, October 2012

Casper, Michelle D.; Losego, Mark D.; Maria, Jon-Paul
Journal of Materials Science, Vol. 48, Issue 4
https://doi.org/10.1007/s10853-012-6914-0

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Similar Records

Title: Materials Data on Fe4Bi2O9 by Materials Project

Abstract

Citation Formats

Synthesis and photocatalytic performance of the electrospun Bi2Fe4O9 nanofibers journal, February 2013

Optimizing phase and microstructure of chemical solution-deposited bismuth ferrite (BiFeO3) thin films to reduce DC leakage journal, October 2012

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journal, February 2013

Optimizing phase and microstructure of chemical solution-deposited bismuth ferrite (BiFeO3) thin films to reduce DC leakage
journal, October 2012