Materials Data on KNa2BO3 by Materials Project

doi:10.17188/1308000

Title: Materials Data on KNa2BO3 by Materials Project

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Abstract

KNa2BO3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.83 Å) and two longer (3.13 Å) K–O bond lengths. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are three shorter (2.33 Å) and two longer (2.47 Å) Na–O bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.41 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, four equivalent Na1+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent K1+, two equivalent Na1+, and one B3+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-8263

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; KNa2BO3; B-K-Na-O

OSTI Identifier:: 1308000

DOI:: https://doi.org/10.17188/1308000

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                    The Materials Project. Materials Data on KNa2BO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308000.

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                    The Materials Project. Materials Data on KNa2BO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308000

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                    The Materials Project. 2020.  
"Materials Data on KNa2BO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308000.  https://www.osti.gov/servlets/purl/1308000. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1308000,

  title        = {Materials Data on KNa2BO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KNa2BO3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.83 Å) and two longer (3.13 Å) K–O bond lengths. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are three shorter (2.33 Å) and two longer (2.47 Å) Na–O bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.41 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, four equivalent Na1+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent K1+, two equivalent Na1+, and one B3+ atom.},

  doi          = {10.17188/1308000},

  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/10.17188/1308000

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