Materials Data on K6MgO4 by Materials Project

doi:10.17188/1188610

Title: Materials Data on K6MgO4 by Materials Project

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Abstract

K6MgO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.00 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.83 Å. Mg2+ is bonded in a tetrahedral geometry to four O2- atoms. There are one shorter (2.03 Å) and three longer (2.07 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six K1+ and one Mg2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to seven K1+ and one Mg2+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-12171

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; K6MgO4; K-Mg-O

OSTI Identifier:: 1188610

DOI:: https://doi.org/10.17188/1188610

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                    The Materials Project. Materials Data on K6MgO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188610.

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                    The Materials Project. Materials Data on K6MgO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188610

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                    The Materials Project. 2020.  
"Materials Data on K6MgO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188610.  https://www.osti.gov/servlets/purl/1188610. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1188610,

  title        = {Materials Data on K6MgO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K6MgO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.00 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.83 Å. Mg2+ is bonded in a tetrahedral geometry to four O2- atoms. There are one shorter (2.03 Å) and three longer (2.07 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six K1+ and one Mg2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to seven K1+ and one Mg2+ atom.},

  doi          = {10.17188/1188610},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188610

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