Materials Data on K2FeCuC12 by Materials Project

doi:10.17188/1690921

Title: Materials Data on K2FeCuC12 by Materials Project

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Abstract

(K)2FeCuC12 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one FeCuC12 framework. In the FeCuC12 framework, Fe3+ is bonded in an octahedral geometry to six equivalent C+0.50- atoms. All Fe–C bond lengths are 1.91 Å. Cu1+ is bonded in an octahedral geometry to six equivalent C+0.50- atoms. All Cu–C bond lengths are 1.90 Å. There are two inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a linear geometry to one Fe3+ and one C+0.50- atom. The C–C bond length is 1.24 Å. In the second C+0.50- site, C+0.50- is bonded in a linear geometry to one Cu1+ and one C+0.50- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1212014

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; K2FeCuC12; C-Cu-Fe-K

OSTI Identifier:: 1690921

DOI:: https://doi.org/10.17188/1690921

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                    The Materials Project. Materials Data on K2FeCuC12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1690921.

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                    The Materials Project. Materials Data on K2FeCuC12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1690921

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                    The Materials Project. 2020.  
"Materials Data on K2FeCuC12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1690921.  https://www.osti.gov/servlets/purl/1690921. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1690921,

  title        = {Materials Data on K2FeCuC12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(K)2FeCuC12 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one FeCuC12 framework. In the FeCuC12 framework, Fe3+ is bonded in an octahedral geometry to six equivalent C+0.50- atoms. All Fe–C bond lengths are 1.91 Å. Cu1+ is bonded in an octahedral geometry to six equivalent C+0.50- atoms. All Cu–C bond lengths are 1.90 Å. There are two inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a linear geometry to one Fe3+ and one C+0.50- atom. The C–C bond length is 1.24 Å. In the second C+0.50- site, C+0.50- is bonded in a linear geometry to one Cu1+ and one C+0.50- atom.},

  doi          = {10.17188/1690921},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1690921

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