Materials Data on K4CO4 by Materials Project

doi:10.17188/1267084

Title: Materials Data on K4CO4 by Materials Project

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Abstract

K4CO4 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.35–3.00 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.60 Å) and three longer (3.13 Å) K–O bond lengths. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.44 Å) and three longer (1.45 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three equivalent K1+ and one C4+ atom.

Publication Date:: 2020-07-22

Other Number(s):: mp-545630

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; C-K-O; crystal structure; K4CO4

OSTI Identifier:: 1267084

DOI:: https://doi.org/10.17188/1267084

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                    Materials Data on K4CO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267084.

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                    Materials Data on K4CO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267084

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                    2020.  
"Materials Data on K4CO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267084.  https://www.osti.gov/servlets/purl/1267084. Pub date:Wed Jul 22 20:00:00 EDT 2020

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@article{osti_1267084,

  title        = {Materials Data on K4CO4 by Materials Project},

  
  abstractNote = {K4CO4 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.35–3.00 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.60 Å) and three longer (3.13 Å) K–O bond lengths. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.44 Å) and three longer (1.45 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three equivalent K1+ and one C4+ atom.},

  doi          = {10.17188/1267084},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267084

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Materials Data on K4CO4 by Materials Project

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K4CO4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to four equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.53–2.88 Å. C4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All C–O bond lengths are 1.43 Å. O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C4+ atom.
Materials Data on K4CO4 by Materials Project

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K4CO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.50–3.30 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.56 Å) and three longer (3.17 Å) K–O bond lengths. C4+ is bonded in a tetrahedral geometry to four O2- atoms. All C–O bond lengths are 1.45 Å. There are two inequivalent O2-more »« less
Materials Data on K4CO4 by Materials Project

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K4CO4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.54–2.87 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.58–3.35 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging frommore »« less
Materials Data on K4CO4 by Materials Project

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K4CO4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.62–2.89 Å. C4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All C–O bond lengths are 1.44 Å. O2- is bonded in a distorted single-bond geometry to five equivalent K1+ and one C4+ atom.
Materials Data on K4CO4 by Materials Project

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K4CO4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.22 Å. C4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All C–O bond lengths are 1.45 Å. O2- is bonded in a distorted single-bond geometry to six equivalent K1+ and one C4+ atom.

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