Materials Data on K6Se2O9 by Materials Project

doi:10.17188/1270947

Title: Materials Data on K6Se2O9 by Materials Project

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Abstract

K6Se2O9 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.11 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.34 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.15 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There is three shorter (1.76 Å) and two longer (1.84 Å) Se–O bond length. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. All Se–O bond lengths are 1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry tomore »« less

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-559613

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; K6Se2O9; K-O-Se

OSTI Identifier:: 1270947

DOI:: https://doi.org/10.17188/1270947

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                    The Materials Project. Materials Data on K6Se2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270947.

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                    The Materials Project. Materials Data on K6Se2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270947

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                    The Materials Project. 2020.  
"Materials Data on K6Se2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270947.  https://www.osti.gov/servlets/purl/1270947. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1270947,

  title        = {Materials Data on K6Se2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K6Se2O9 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.11 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.34 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.15 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There is three shorter (1.76 Å) and two longer (1.84 Å) Se–O bond length. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. All Se–O bond lengths are 1.68 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Se6+ atom.},

  doi          = {10.17188/1270947},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270947

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