Materials Data on Fe2O3 by Materials Project

doi:10.17188/1676168

Title: Materials Data on Fe2O3 by Materials Project

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Abstract

Fe2O3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Fe3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Fe–O bond distances ranging from 1.82–2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1181824

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; Fe2O3; Fe-O

OSTI Identifier:: 1676168

DOI:: https://doi.org/10.17188/1676168

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                    The Materials Project. Materials Data on Fe2O3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1676168.

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                    The Materials Project. Materials Data on Fe2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676168

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                    The Materials Project. 2019.  
"Materials Data on Fe2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676168.  https://www.osti.gov/servlets/purl/1676168. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1676168,

  title        = {Materials Data on Fe2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe2O3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Fe3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Fe–O bond distances ranging from 1.82–2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Fe3+ atoms.},

  doi          = {10.17188/1676168},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1676168

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