Materials Data on KO3 by Materials Project

doi:10.17188/1317421

Title: Materials Data on KO3 by Materials Project

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Abstract

KO3 is Baddeleyite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. K is bonded to seven O atoms to form distorted KO7 pentagonal bipyramids that share corners with eight equivalent KO7 pentagonal bipyramids, corners with two equivalent OK3O tetrahedra, and edges with two equivalent KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.81–3.06 Å. There are two inequivalent O sites. In the first O site, O is bonded to three equivalent K and one O atom to form OK3O tetrahedra that share a cornercorner with one KO7 pentagonal bipyramid, corners with twelve equivalent OK3O tetrahedra, and edges with two equivalent OK3O tetrahedra. The O–O bond length is 1.37 Å. In the second O site, O is bonded in a trigonal planar geometry to one K and two equivalent O atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-998913

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; KO3; K-O

OSTI Identifier:: 1317421

DOI:: https://doi.org/10.17188/1317421

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                    The Materials Project. Materials Data on KO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317421.

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                    The Materials Project. Materials Data on KO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317421

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                    The Materials Project. 2020.  
"Materials Data on KO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317421.  https://www.osti.gov/servlets/purl/1317421. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1317421,

  title        = {Materials Data on KO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KO3 is Baddeleyite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. K is bonded to seven O atoms to form distorted KO7 pentagonal bipyramids that share corners with eight equivalent KO7 pentagonal bipyramids, corners with two equivalent OK3O tetrahedra, and edges with two equivalent KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.81–3.06 Å. There are two inequivalent O sites. In the first O site, O is bonded to three equivalent K and one O atom to form OK3O tetrahedra that share a cornercorner with one KO7 pentagonal bipyramid, corners with twelve equivalent OK3O tetrahedra, and edges with two equivalent OK3O tetrahedra. The O–O bond length is 1.37 Å. In the second O site, O is bonded in a trigonal planar geometry to one K and two equivalent O atoms.},

  doi          = {10.17188/1317421},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1317421

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