Materials Data on K3(FeO2)4 by Materials Project

doi:10.17188/1680374

Title: Materials Data on K3(FeO2)4 by Materials Project

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Abstract

K3(FeO2)4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four equivalent O atoms. All K–O bond lengths are 3.25 Å. In the second K site, K is bonded in a 8-coordinate geometry to two equivalent O atoms. Both K–O bond lengths are 3.19 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent O atoms to form distorted corner-sharing FeO4 tetrahedra. All Fe–O bond lengths are 1.83 Å. In the second Fe site, Fe is bonded to four equivalent O atoms to form corner-sharing FeO4 tetrahedra. All Fe–O bond lengths are 1.87 Å. In the third Fe site, Fe is bonded to four O atoms to form corner-sharing FeO4 tetrahedra. All Fe–O bond lengths are 1.86 Å. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two Fe atoms. In the second O site, O is bonded in a distorted linear geometry to two K and two Fe atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1224086

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Fe-K-O; K3(FeO2)4; crystal structure

OSTI Identifier:: 1680374

DOI:: https://doi.org/10.17188/1680374

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                    Materials Data on K3(FeO2)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680374.

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                    Materials Data on K3(FeO2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680374

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                    2020.  
"Materials Data on K3(FeO2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680374.  https://www.osti.gov/servlets/purl/1680374. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1680374,

  title        = {Materials Data on K3(FeO2)4 by Materials Project},

  
  abstractNote = {K3(FeO2)4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four equivalent O atoms. All K–O bond lengths are 3.25 Å. In the second K site, K is bonded in a 8-coordinate geometry to two equivalent O atoms. Both K–O bond lengths are 3.19 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent O atoms to form distorted corner-sharing FeO4 tetrahedra. All Fe–O bond lengths are 1.83 Å. In the second Fe site, Fe is bonded to four equivalent O atoms to form corner-sharing FeO4 tetrahedra. All Fe–O bond lengths are 1.87 Å. In the third Fe site, Fe is bonded to four O atoms to form corner-sharing FeO4 tetrahedra. All Fe–O bond lengths are 1.86 Å. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two Fe atoms. In the second O site, O is bonded in a distorted linear geometry to two K and two Fe atoms.},

  doi          = {10.17188/1680374},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680374

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