Materials Data on KBiF6 by Materials Project

doi:10.17188/1269975

Title: Materials Data on KBiF6 by Materials Project

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Abstract

KBiF6 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.65 Å) and four longer (3.12 Å) K–F bond lengths. Bi5+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.05 Å) and two longer (2.06 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Bi5+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Bi5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-557724

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; KBiF6; Bi-F-K

OSTI Identifier:: 1269975

DOI:: https://doi.org/10.17188/1269975

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                    The Materials Project. Materials Data on KBiF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269975.

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                    The Materials Project. Materials Data on KBiF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269975

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                    The Materials Project. 2020.  
"Materials Data on KBiF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269975.  https://www.osti.gov/servlets/purl/1269975. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1269975,

  title        = {Materials Data on KBiF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KBiF6 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.65 Å) and four longer (3.12 Å) K–F bond lengths. Bi5+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.05 Å) and two longer (2.06 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Bi5+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Bi5+ atom.},

  doi          = {10.17188/1269975},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1269975

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