Materials Data on Cr2FeO4 by Materials Project

doi:10.17188/1685356

Title: Materials Data on Cr2FeO4 by Materials Project

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Abstract

FeCr2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with six equivalent CrO6 octahedra. There are four shorter (2.03 Å) and two longer (2.04 Å) Cr–O bond lengths. Fe2+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. All Fe–O bond lengths are 2.04 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Fe2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1104680

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; Cr2FeO4; Cr-Fe-O

OSTI Identifier:: 1685356

DOI:: https://doi.org/10.17188/1685356

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                    The Materials Project. Materials Data on Cr2FeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685356.

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                    The Materials Project. Materials Data on Cr2FeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685356

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                    The Materials Project. 2020.  
"Materials Data on Cr2FeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685356.  https://www.osti.gov/servlets/purl/1685356. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685356,

  title        = {Materials Data on Cr2FeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeCr2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with six equivalent CrO6 octahedra. There are four shorter (2.03 Å) and two longer (2.04 Å) Cr–O bond lengths. Fe2+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. All Fe–O bond lengths are 2.04 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Fe2+ atom.},

  doi          = {10.17188/1685356},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685356

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