Materials Data on KH(IF6)2 by Materials Project

doi:10.17188/1284905

Title: Materials Data on KH(IF6)2 by Materials Project

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Abstract

K(IF5)2HF2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional and consists of four hydrogen fluoride hydrogen fluoride molecules and one K(IF5)2 framework. In the K(IF5)2 framework, K1+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. All K–F bond lengths are 2.69 Å. I5+ is bonded in a 5-coordinate geometry to five F1- atoms. There is one shorter (1.88 Å) and four longer (1.95 Å) I–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one K1+ and one I5+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-695892

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; KH(IF6)2; F-H-I-K

OSTI Identifier:: 1284905

DOI:: https://doi.org/10.17188/1284905

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                    The Materials Project. Materials Data on KH(IF6)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284905.

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                    The Materials Project. Materials Data on KH(IF6)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284905

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                    The Materials Project. 2020.  
"Materials Data on KH(IF6)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284905.  https://www.osti.gov/servlets/purl/1284905. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1284905,

  title        = {Materials Data on KH(IF6)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K(IF5)2HF2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional and consists of four hydrogen fluoride hydrogen fluoride molecules and one K(IF5)2 framework. In the K(IF5)2 framework, K1+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. All K–F bond lengths are 2.69 Å. I5+ is bonded in a 5-coordinate geometry to five F1- atoms. There is one shorter (1.88 Å) and four longer (1.95 Å) I–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one K1+ and one I5+ atom.},

  doi          = {10.17188/1284905},

  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/10.17188/1284905

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