Materials Data on K2FeO4 by Materials Project

doi:10.17188/1194240

Title: Materials Data on K2FeO4 by Materials Project

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Abstract

K2FeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.76–3.20 Å. In the second K site, K is bonded in a 1-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.77–3.30 Å. Fe is bonded in a tetrahedral geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.65–1.67 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to five K and one Fe atom. In the second O site, O is bonded in a distorted single-bond geometry to five K and one Fe atom. In the third O site, O is bonded in a distorted single-bond geometry to four K and one Fe atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-19320

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; K2FeO4; Fe-K-O

OSTI Identifier:: 1194240

DOI:: https://doi.org/10.17188/1194240

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                    The Materials Project. Materials Data on K2FeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194240.

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                    The Materials Project. Materials Data on K2FeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194240

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                    The Materials Project. 2020.  
"Materials Data on K2FeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194240.  https://www.osti.gov/servlets/purl/1194240. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1194240,

  title        = {Materials Data on K2FeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2FeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.76–3.20 Å. In the second K site, K is bonded in a 1-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.77–3.30 Å. Fe is bonded in a tetrahedral geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.65–1.67 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to five K and one Fe atom. In the second O site, O is bonded in a distorted single-bond geometry to five K and one Fe atom. In the third O site, O is bonded in a distorted single-bond geometry to four K and one Fe atom.},

  doi          = {10.17188/1194240},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1194240

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