Materials Data on KY3F10 by Materials Project

doi:10.17188/1206706

Title: Materials Data on KY3F10 by Materials Project

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Abstract

KY3F10 crystallizes in the trigonal R3m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are one shorter (2.75 Å) and six longer (3.00 Å) K–F bond lengths. Y3+ is bonded to seven F1- atoms to form distorted corner-sharing YF7 pentagonal bipyramids. There are a spread of Y–F bond distances ranging from 2.17–2.67 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a trigonal pyramidal geometry to one K1+ and three equivalent Y3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Y3+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-34042

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; KY3F10; F-K-Y

OSTI Identifier:: 1206706

DOI:: https://doi.org/10.17188/1206706

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                    The Materials Project. Materials Data on KY3F10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206706.

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                    The Materials Project. Materials Data on KY3F10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206706

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                    The Materials Project. 2020.  
"Materials Data on KY3F10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206706.  https://www.osti.gov/servlets/purl/1206706. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1206706,

  title        = {Materials Data on KY3F10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KY3F10 crystallizes in the trigonal R3m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are one shorter (2.75 Å) and six longer (3.00 Å) K–F bond lengths. Y3+ is bonded to seven F1- atoms to form distorted corner-sharing YF7 pentagonal bipyramids. There are a spread of Y–F bond distances ranging from 2.17–2.67 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one K1+ and two equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a trigonal pyramidal geometry to one K1+ and three equivalent Y3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Y3+ atoms.},

  doi          = {10.17188/1206706},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206706

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