Materials Data on KBH4 by Materials Project

doi:10.17188/1207403

Title: Materials Data on KBH4 by Materials Project

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Abstract

KBH4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve equivalent H+0.50+ atoms. There are four shorter (2.81 Å) and eight longer (2.82 Å) K–H bond lengths. B3- is bonded in a tetrahedral geometry to four equivalent H+0.50+ atoms. All B–H bond lengths are 1.23 Å. H+0.50+ is bonded in a single-bond geometry to three equivalent K1+ and one B3- atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-37722

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; KBH4; B-H-K

OSTI Identifier:: 1207403

DOI:: https://doi.org/10.17188/1207403

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                    The Materials Project. Materials Data on KBH4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207403.

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                    The Materials Project. Materials Data on KBH4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207403

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                    The Materials Project. 2020.  
"Materials Data on KBH4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207403.  https://www.osti.gov/servlets/purl/1207403. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1207403,

  title        = {Materials Data on KBH4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KBH4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve equivalent H+0.50+ atoms. There are four shorter (2.81 Å) and eight longer (2.82 Å) K–H bond lengths. B3- is bonded in a tetrahedral geometry to four equivalent H+0.50+ atoms. All B–H bond lengths are 1.23 Å. H+0.50+ is bonded in a single-bond geometry to three equivalent K1+ and one B3- atom.},

  doi          = {10.17188/1207403},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207403

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