Materials Data on KTeOF3 by Materials Project

doi:10.17188/1277732

Title: Materials Data on KTeOF3 by Materials Project

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Abstract

KTeOF3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded to two equivalent O2- and four F1- atoms to form distorted corner-sharing KO2F4 pentagonal pyramids. There are one shorter (2.78 Å) and one longer (2.86 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.70–2.80 Å. Te4+ is bonded in a see-saw-like geometry to one O2- and three F1- atoms. The Te–O bond length is 1.81 Å. There are a spread of Te–F bond distances ranging from 1.96–2.05 Å. O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Te4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one K1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Te4+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-612946

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; KTeOF3; F-K-O-Te

OSTI Identifier:: 1277732

DOI:: https://doi.org/10.17188/1277732

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                    The Materials Project. Materials Data on KTeOF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277732.

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                    The Materials Project. Materials Data on KTeOF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277732

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                    The Materials Project. 2020.  
"Materials Data on KTeOF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277732.  https://www.osti.gov/servlets/purl/1277732. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1277732,

  title        = {Materials Data on KTeOF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KTeOF3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded to two equivalent O2- and four F1- atoms to form distorted corner-sharing KO2F4 pentagonal pyramids. There are one shorter (2.78 Å) and one longer (2.86 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.70–2.80 Å. Te4+ is bonded in a see-saw-like geometry to one O2- and three F1- atoms. The Te–O bond length is 1.81 Å. There are a spread of Te–F bond distances ranging from 1.96–2.05 Å. O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Te4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one K1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Te4+ atom.},

  doi          = {10.17188/1277732},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277732

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