Materials Data on KGaI4 by Materials Project

doi:10.17188/1203778

Title: Materials Data on KGaI4 by Materials Project

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Abstract

KGaI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.67–4.21 Å. Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.59 Å) and two longer (2.60 Å) Ga–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the third I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-29402

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; KGaI4; Ga-I-K

OSTI Identifier:: 1203778

DOI:: https://doi.org/10.17188/1203778

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                    The Materials Project. Materials Data on KGaI4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203778.

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                    The Materials Project. Materials Data on KGaI4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203778

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                    The Materials Project. 2020.  
"Materials Data on KGaI4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203778.  https://www.osti.gov/servlets/purl/1203778. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1203778,

  title        = {Materials Data on KGaI4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KGaI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.67–4.21 Å. Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.59 Å) and two longer (2.60 Å) Ga–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the third I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Ga3+ atom. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Ga3+ atom.},

  doi          = {10.17188/1203778},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203778

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