Materials Data on K2O2 by Materials Project

doi:10.17188/1317425

Title: Materials Data on K2O2 by Materials Project

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Abstract

K2O2 is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six O atoms. There are four shorter (2.65 Å) and two longer (2.77 Å) K–O bond lengths. In the second K site, K is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.74 Å) and four longer (2.89 Å) K–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 7-coordinate geometry to six K and one O atom. The O–O bond length is 1.53 Å. In the second O site, O is bonded to six K and one O atom to form a mixture of distorted face, edge, and corner-sharing OK6O pentagonal bipyramids. The O–O bond length is 1.54 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-998917

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; K2O2; K-O

OSTI Identifier:: 1317425

DOI:: https://doi.org/10.17188/1317425

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                    The Materials Project. Materials Data on K2O2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317425.

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                    The Materials Project. Materials Data on K2O2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317425

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                    The Materials Project. 2020.  
"Materials Data on K2O2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317425.  https://www.osti.gov/servlets/purl/1317425. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1317425,

  title        = {Materials Data on K2O2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2O2 is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six O atoms. There are four shorter (2.65 Å) and two longer (2.77 Å) K–O bond lengths. In the second K site, K is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.74 Å) and four longer (2.89 Å) K–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 7-coordinate geometry to six K and one O atom. The O–O bond length is 1.53 Å. In the second O site, O is bonded to six K and one O atom to form a mixture of distorted face, edge, and corner-sharing OK6O pentagonal bipyramids. The O–O bond length is 1.54 Å.},

  doi          = {10.17188/1317425},

  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/10.17188/1317425

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